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

Systemtic Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Traditional Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-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=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=NC=C3)OC

InChI

InChI=1S/C20H25N3O5S/c1-27-18-6-5-17(12-19(18)28-2)29(25,26)23-11-3-4-16(14-23)20(24)22-13-15-7-9-21-10-8-15/h5-10,12,16H,3-4,11,13-14H2,1-2H3,(H,22,24)/t16-/m1/s1