N-(3-ethoxyphenyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-ethoxyphenyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-ethoxyphenyl)-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-ethoxyphenyl)-1-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-ethoxyphenyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(4-methylbenzyl)sulfonyl-N-m-phenetyl-isonipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2O4S/c1-3-28-21-6-4-5-20(15-21)23-22(25)19-11-13-24(14-12-19)29(26,27)16-18-9-7-17(2)8-10-18/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,23,25)