N-[3-oxidanylidene-3-(pyridin-2-ylamino)propyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(pyridin-2-ylamino)propyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[3-oxo-3-(2-pyridylamino)propyl]piperidine-4-carboxamide CAS Name: N-[3-oxo-3-(2-pyridinylamino)propyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[3-keto-3-(2-pyridylamino)propyl]isonipecotamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=CC=N2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=CC=N2)S(=O)(=O)CC3=CC=CC=C3

InChI

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