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

Systemtic Name: N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-1-(cyclopropylcarbamoyl)-3-methylsulfanyl-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-1-(cyclopropylamino)-4-(methylthio)-1-oxobutan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-1-(cyclopropylcarbamoyl)-3-(methylthio)propyl]isonipecotamide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O4S2/c1-28-14-11-18(20(25)21-16-7-8-16)22-19(24)15-9-12-23(13-10-15)29(26,27)17-5-3-2-4-6-17/h2-6,15-16,18H,7-14H2,1H3,(H,21,25)(H,22,24)/t18-/m0/s1