N-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C21H22ClF3N2O3S MolecularWeight: 474.92419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H22ClF3N2O3S/c1-14-4-2-3-5-16(14)13-31(29,30)27-10-8-15(9-11-27)20(28)26-17-6-7-19(22)18(12-17)21(23,24)25/h2-7,12,15H,8-11,13H2,1H3,(H,26,28)