N-[(3-ethoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-ethoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[(3-ethoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(3-ethoxybenzyl)isonipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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