Chem
J-GLOBAL ID:200907017091469006
Nikkaji number:J431.030F
BAY-u-3406
(3S)-3-[[(4-フルオロフェニル)スルホニル]アミノ]-1,2,3,4-テトラヒドロ-9H-カルバゾール-9-プロパン酸
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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:
C21 H21 FN2 O4 S
Molecular formula furigana:
C21-H21-F-N2-O4-S
Molecular weight:
416.470
InChI:
InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m0/s1
InChI key:
LDXDSHIEDAPSSA-HNNXBMFYSA-N
SMILES:
OC(=O)CCn1c2CC[C@@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Systematic name (3):
(3S)-3-[[(4-フルオロフェニル)スルホニル]アミノ]-1,2,3,4-テトラヒドロ-9H-カルバゾール-9-プロパン酸
3-[(3S)-3-(4-フルオロベンゼンスルホンアミド)-2,3,4,9-テトラヒドロ-1H-カルバゾール-9-イル]プロパン酸
3-[(3S)-3-(4-fluorobenzenesulfonamido)-2,3,4,9-tetrahydro-1H-carbazol-9-yl]propanoic acid
Other name (2):
BAY-u-3406
(3S)-3-[[(4-Fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9H-carbazole-9-propanoic acid
CAS registry number:
116649-86-6
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