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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(azepane-1-carbonyl)-3-methylsulfanyl-propyl]-1-(benzenesulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-4-(methylthio)-1-oxobutan-2-yl]-1-(benzenesulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(benzenesulfonyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-3-(methylthio)propyl]-1-besyl-isonipecotamide Formula: C23H35N3O4S2 MolecularWeight: 481.6717

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H35N3O4S2/c1-31-18-13-21(23(28)25-14-7-2-3-8-15-25)24-22(27)19-11-16-26(17-12-19)32(29,30)20-9-5-4-6-10-20/h4-6,9-10,19,21H,2-3,7-8,11-18H2,1H3,(H,24,27)/t21-/m0/s1