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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(CCSC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)[C@H](CCSC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H31N3O4S2/c1-15(2)21-20(25)18(11-14-28-3)22-19(24)16-9-12-23(13-10-16)29(26,27)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3,(H,21,25)(H,22,24)/t18-/m0/s1