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

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-hydroxy-4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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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=C3C(F)(F)F)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)O

InChI

InChI=1S/C20H21F3N2O4S/c1-13-6-7-16(17(26)12-13)24-19(27)14-8-10-25(11-9-14)30(28,29)18-5-3-2-4-15(18)20(21,22)23/h2-7,12,14,26H,8-11H2,1H3,(H,24,27)