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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O5S/c1-31-19-7-9-20(10-8-19)32(29,30)26-14-4-5-17(16-26)22(28)24-13-11-21(27)25-15-18-6-2-3-12-23-18/h2-3,6-10,12,17H,4-5,11,13-16H2,1H3,(H,24,28)(H,25,27)/t17-/m1/s1