[2-methyl-4-(4-methylphenyl)phenyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-methyl-4-(4-methylphenyl)phenyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-methyl-4-(p-tolyl)phenyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-methyl-4-(4-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(4-methylphenyl)phenyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-methyl-4-(p-tolyl)phenyl] ester Formula: C27H26F3NO4S MolecularWeight: 517.55985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26F3NO4S/c1-18-7-9-20(10-8-18)22-11-12-24(19(2)17-22)35-26(32)21-13-15-31(16-14-21)36(33,34)25-6-4-3-5-23(25)27(28,29)30/h3-12,17,21H,13-16H2,1-2H3