N-(4,5-dimethoxy-2-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,5-dimethoxy-2-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H25F3N2O5S MolecularWeight: 486.50451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)OC)OC

InChI

InChI=1S/C22H25F3N2O5S/c1-14-11-19(31-2)20(32-3)13-18(14)26-21(28)15-7-9-27(10-8-15)33(29,30)17-6-4-5-16(12-17)22(23,24)25/h4-6,11-13,15H,7-10H2,1-3H3,(H,26,28)