N-[2-(3,5-dimethylphenoxy)ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(3,5-dimethylphenoxy)ethyl]isonipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O4S/c1-17-14-18(2)16-20(15-17)28-13-10-23-22(25)19-8-11-24(12-9-19)29(26,27)21-6-4-3-5-7-21/h3-7,14-16,19H,8-13H2,1-2H3,(H,23,25)