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

Systemtic Name: (3S)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(propan-2-ylamino)butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-1-(isopropylcarbamoyl)-3-methylsulfanyl-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-4-(methylthio)-1-oxo-1-(propan-2-ylamino)butan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[(1S)-1-(isopropylcarbamoyl)-3-(methylthio)propyl]nipecotamide Formula: C20H31N3O4S2 MolecularWeight: 441.60784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(CCSC)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)[C@H](CCSC)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H31N3O4S2/c1-15(2)21-20(25)18(11-13-28-3)22-19(24)16-8-7-12-23(14-16)29(26,27)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3,(H,21,25)(H,22,24)/t16-,18-/m0/s1