N-(2-ethyl-6-methyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(2-ethyl-6-methyl-phenyl)piperidine-4-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(2-ethyl-6-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(2-ethyl-6-methyl-phenyl)isonipecotamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O3S/c1-3-19-11-7-8-17(2)21(19)23-22(25)20-12-14-24(15-13-20)28(26,27)16-18-9-5-4-6-10-18/h4-11,20H,3,12-16H2,1-2H3,(H,23,25)