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

Systemtic Name: N-(2-fluoranyl-4-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-fluoro-4-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-fluoro-4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-fluoro-4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-fluoro-4-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H20F4N2O3S MolecularWeight: 444.443013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)F

InChI

InChI=1S/C20H20F4N2O3S/c1-13-5-6-18(17(21)11-13)25-19(27)14-7-9-26(10-8-14)30(28,29)16-4-2-3-15(12-16)20(22,23)24/h2-6,11-12,14H,7-10H2,1H3,(H,25,27)