1-[4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]methyl]phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[4-[[2-keto-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylnipecotic acid Formula: C23H20F3NO6S MolecularWeight: 495.46821

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H20F3NO6S/c24-23(25,26)19-12-21(28)33-20-8-5-15(11-18(19)20)10-14-3-6-17(7-4-14)34(31,32)27-9-1-2-16(13-27)22(29)30/h3-8,11-12,16H,1-2,9-10,13H2,(H,29,30)