Chem
J-GLOBAL ID：201407083510301636   Nikkaji number：J3.307.351H

N,N′-Bis[(1S,2S)-2-amino-1,2-bis[4-(trifluoromethyl)phenyl]ethyl]benzene-1,3-disulfonamide

N,N′-ビス[(1S,2S)-2-アミノ-1,2-ビス[4-(トリフルオロメチル)フェニル]エチル]ベンゼン-1,3-ジスルホンアミド
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： C38H30F12N4O4S2
Molecular formula furigana： C38-H30-F12-N4-O4-S2
Molecular weight： 898.780
InChI： InChI=1S/C38H30F12N4O4S2/c39-35(40,41)25-12-4-21(5-13-25)31(51)33(23-8-16-27(17-9-23)37(45,46)47)53-59(55,56)29-2-1-3-30(20-29)60(57,58)54-34(24-10-18-28(19-11-24)38(48,49)50)32(52)22-6-14-26(15-7-22)36(42,43)44/h1-20,31-34,53-54H,51-52H2/t31-,32-,33-,34-/m0/s1
InChI key： ONHPPLRLUVQEBD-CUPIEXAXSA-N
SMILES： N[C@H]([C@@H](NS(=O)(=O)c1cccc(c1)S(=O)(=O)N[C@H]([C@@H](N)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • N,N′-ビス[(1S,2S)-2-アミノ-1,2-ビス[4-(トリフルオロメチル)フェニル]エチル]ベンゼン-1,3-ジスルホンアミド
  • N1,N3-ビス[(1S,2S)-2-アミノ-1,2-ビス[4-(トリフルオロメチル)フェニル]エチル]ベンゼン-1,3-ジスルホンアミド
  • N1,N3-bis[(1S,2S)-2-amino-1,2-bis[4-(trifluoromethyl)phenyl]ethyl]benzene-1,3-disulfonamide
Other name (1)：
  • N,N′-Bis[(1S,2S)-2-amino-1,2-bis[4-(trifluoromethyl)phenyl]ethyl]benzene-1,3-disulfonamide
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