Chem
J-GLOBAL ID:200907027864424134   Nikkaji number:J2.118.933B

(3E,8E,13E)-1,6,11-Tris[4-[2-[(4,6-dichloro-1,3,5-triazine-2-yl)amino]ethylamino]phenylsulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene

(3E,8E,13E)-1,6,11-トリス[4-[2-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]エチルアミノ]フェニルスルホニル]-1,6,11-トリアザシクロペンタデカ-3,8,13-トリエン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C45H48Cl6N18O6S3
Molecular formula furigana: C45-H48-CL6-N18-O6-S3
Molecular weight: 1245.880
InChI: InChI=1S/C45H48Cl6N18O6S3/c46-37-58-38(47)62-43(61-37)55-22-19-52-31-7-13-34(14-8-31)76(70,71)67-25-1-2-26-68(77(72,73)35-15-9-32(10-16-35)53-20-23-56-44-63-39(48)59-40(49)64-44)28-5-6-30-69(29-4-3-27-67)78(74,75)36-17-11-33(12-18-36)54-21-24-57-45-65-41(50)60-42(51)66-45/h1-18,52-54H,19-30H2,(H,55,58,61,62)(H,56,59,63,64)(H,57,60,65,66)/b2-1+,4-3+,6-5+
InChI key: CUSANVXTVAZXOP-OGRRCNLLSA-N
SMILES: Clc1nc(Cl)nc(NCCNc2ccc(cc2)S(=O)(=O)N2C/C=C/CN(C/C=C/CN(C/C=C/C2)S(=O)(=O)c2ccc(NCCNc3nc(Cl)nc(Cl)n3)cc2)S(=O)(=O)c2ccc(NCCNc3nc(Cl)nc(Cl)n3)cc2)n1
Systematic name  (3):
  • (3E,8E,13E)-1,6,11-トリス[4-[2-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]エチルアミノ]フェニルスルホニル]-1,6,11-トリアザシクロペンタデカ-3,8,13-トリエン
  • N1-(4-{[(3E,8E,13E)-6,11-ビス[4-({2-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]エチル}アミノ)ベンゼンスルホニル]-1,6,11-トリアザシクロペンタデカ-3,8,13-トリエン-1-イル]スルホニル}フェニル)-N2-(4,6-ジクロロ-1,3,5-トリアジン-2-イル)エタン-1,2-ジアミン
  • N1-(4-{[(3E,8E,13E)-6,11-bis[4-({2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl}amino)benzenesulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-trien-1-yl]sulfonyl}phenyl)-N2-(4,6-dichloro-1,3,5-triazin-2-yl)ethane-1,2-diamine
Other name (1):
  • (3E,8E,13E)-1,6,11-Tris[4-[2-[(4,6-dichloro-1,3,5-triazine-2-yl)amino]ethylamino]phenylsulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene
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