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

Systemtic Name: (3S)-N-[(2S)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-1-methyl-2-oxo-2-(4-pyridylamino)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[(1S)-2-keto-1-methyl-2-(4-pyridylamino)ethyl]nipecotamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S/c1-15(19(25)23-17-9-11-21-12-10-17)22-20(26)16-6-5-13-24(14-16)29(27,28)18-7-3-2-4-8-18/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,22,26)(H,21,23,25)/t15-,16-/m0/s1