3-methyl-N-[(2-methylphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: 3-methyl-N-[(2-methylphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-3-carboxamide Openeye Name: 1-benzylsulfonyl-3-methyl-N-(o-tolylmethyl)piperidine-3-carboxamide CAS Name: 3-methyl-N-[(2-methylphenyl)methyl]-1-(phenylmethyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-benzylsulfonyl-3-methyl-N-(2-methylbenzyl)nipecotamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2(CCCN(C2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2(CCCN(C2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O3S/c1-18-9-6-7-12-20(18)15-23-21(25)22(2)13-8-14-24(17-22)28(26,27)16-19-10-4-3-5-11-19/h3-7,9-12H,8,13-17H2,1-2H3,(H,23,25)