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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-homoveratryl-nipecotamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-28-20-11-10-17(15-21(20)29-2)12-13-23-22(25)18-7-6-14-24(16-18)30(26,27)19-8-4-3-5-9-19/h3-5,8-11,15,18H,6-7,12-14,16H2,1-2H3,(H,23,25)