N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]isonipecotamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S/c1-17(2)21(23(29)25-16-19-8-6-7-13-24-19)26-22(28)18-11-14-27(15-12-18)32(30,31)20-9-4-3-5-10-20/h3-10,13,17-18,21H,11-12,14-16H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1