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

Systemtic Name: 4-[4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperazine-1-carboxylic acid Openeye Name: 4-[4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperazine-1-carboxylic acid CAS Name: 4-[4-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]methyl]phenyl]sulfonyl-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperazine-1-carboxylic acid Traditional Name: 4-[4-[[2-keto-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperazine-1-carboxylic acid Formula: C22H19F3N2O6S MolecularWeight: 496.45627

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C22H19F3N2O6S/c23-22(24,25)18-13-20(28)33-19-6-3-15(12-17(18)19)11-14-1-4-16(5-2-14)34(31,32)27-9-7-26(8-10-27)21(29)30/h1-6,12-13H,7-11H2,(H,29,30)