N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-ethoxybenzyl)-1-tosyl-isonipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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