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

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-1-methyl-2-oxo-2-(4-pyridylmethylamino)ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-2-keto-1-methyl-2-(4-pyridylmethylamino)ethyl]isonipecotamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=NC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=NC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S/c1-16(20(26)23-15-17-7-11-22-12-8-17)24-21(27)18-9-13-25(14-10-18)30(28,29)19-5-3-2-4-6-19/h2-8,11-12,16,18H,9-10,13-15H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1