(2S)-2-(4-acetamidophenyl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(4-acetamidophenyl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(4-acetamidophenyl)sulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-[(4-acetamidophenyl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-acetamidophenyl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(4-acetamidophenyl)thio]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H27N3O4S2/c1-16(30-20-11-9-18(10-12-20)23-17(2)26)22(27)24-19-7-6-8-21(15-19)31(28,29)25-13-4-3-5-14-25/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,23,26)(H,24,27)/t16-/m0/s1