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

Systemtic Name: (2S)-2-(4-methylphenyl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-N-[4-(1-piperidylsulfonyl)phenyl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-[(4-methylphenyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-methylphenyl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-N-(4-piperidinosulfonylphenyl)-2-(p-tolylthio)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-16-6-10-19(11-7-16)27-17(2)21(24)22-18-8-12-20(13-9-18)28(25,26)23-14-4-3-5-15-23/h6-13,17H,3-5,14-15H2,1-2H3,(H,22,24)/t17-/m0/s1