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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

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