(3S)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-3-methylsulfanyl-1-(phenylcarbamoyl)propyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-1-anilino-4-(methylthio)-1-oxobutan-2-yl]-1-(benzenesulfonyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-1-(benzenesulfonyl)piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[(1S)-3-(methylthio)-1-(phenylcarbamoyl)propyl]nipecotamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S2/c1-31-16-14-21(23(28)24-19-10-4-2-5-11-19)25-22(27)18-9-8-15-26(17-18)32(29,30)20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3,(H,24,28)(H,25,27)/t18-,21-/m0/s1