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

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-(1H-benzimidazol-2-ylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(1H-benzimidazol-2-ylthio)-N-(4-piperidinosulfonylphenyl)propionamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O3S2/c1-15(29-21-23-18-7-3-4-8-19(18)24-21)20(26)22-16-9-11-17(12-10-16)30(27,28)25-13-5-2-6-14-25/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,22,26)(H,23,24)/t15-/m0/s1