(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-(1H-benzimidazol-2-ylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(1H-benzimidazol-2-ylthio)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O3S2/c1-14(28-20-22-17-6-2-3-7-18(17)23-20)19(25)21-15-8-10-16(11-9-15)29(26,27)24-12-4-5-13-24/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,25)(H,22,23)/t14-/m0/s1