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

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-3-methylsulfanyl-1-(2-pyridylmethylcarbamoyl)propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-4-(methylthio)-1-oxo-1-(2-pyridinylmethylamino)butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-3-(methylthio)-1-(2-pyridylmethylcarbamoyl)propyl]isonipecotamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4S2/c1-32-16-12-21(23(29)25-17-19-7-5-6-13-24-19)26-22(28)18-10-14-27(15-11-18)33(30,31)20-8-3-2-4-9-20/h2-9,13,18,21H,10-12,14-17H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1