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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S2/c1-31-17-14-21(23(28)24-19-8-4-2-5-9-19)25-22(27)18-12-15-26(16-13-18)32(29,30)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,24,28)(H,25,27)/t21-/m0/s1