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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-[3-oxo-3-(2-pyridylmethylamino)propyl]piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[3-oxo-3-(2-pyridinylmethylamino)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]piperidine-4-carboxamide Traditional Name: N-[3-keto-3-(2-pyridylmethylamino)propyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O5S/c1-31-19-5-7-20(8-6-19)32(29,30)26-14-10-17(11-15-26)22(28)24-13-9-21(27)25-16-18-4-2-3-12-23-18/h2-8,12,17H,9-11,13-16H2,1H3,(H,24,28)(H,25,27)