N-[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-oxo-3-(2-pyridylmethylamino)propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-oxo-3-(2-pyridinylmethylamino)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-keto-3-(2-pyridylmethylamino)propyl]isonipecotamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S/c26-20(24-16-18-6-4-5-12-22-18)9-13-23-21(27)17-10-14-25(15-11-17)30(28,29)19-7-2-1-3-8-19/h1-8,12,17H,9-11,13-16H2,(H,23,27)(H,24,26)