(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)nipecotamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-27-18-9-8-17(12-19(18)28-2)29(25,26)23-11-5-6-15(14-23)20(24)22-13-16-7-3-4-10-21-16/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3,(H,22,24)/t15-/m1/s1