N-(3-methylphenyl)-N-(phenylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylphenyl)-N-(phenylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-N-(m-tolyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-methylphenyl)-N-(phenylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-(m-tolyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C27H27F3N2O3S MolecularWeight: 516.57509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C27H27F3N2O3S/c1-20-8-7-11-23(18-20)32(19-21-9-3-2-4-10-21)26(33)22-14-16-31(17-15-22)36(34,35)25-13-6-5-12-24(25)27(28,29)30/h2-13,18,22H,14-17,19H2,1H3