N-[(2,4-dimethoxyphenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-(2,4-dimethoxybenzyl)nipecotamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O5S/c1-27-18-11-10-16(20(13-18)28-2)14-22-21(24)17-7-6-12-23(15-17)29(25,26)19-8-4-3-5-9-19/h3-5,8-11,13,17H,6-7,12,14-15H2,1-2H3,(H,22,24)