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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

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