4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-6-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-6-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-6-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-6-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-6-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C25H19F3N2O5S MolecularWeight: 516.48897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C4C=C(C=CC4=NC=C3C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C4C=C(C=CC4=NC=C3C(=O)O)C(F)(F)F

InChI

InChI=1S/C25H19F3N2O5S/c1-35-18-8-10-19(11-9-18)36(33,34)30(15-16-5-3-2-4-6-16)23-20-13-17(25(26,27)28)7-12-22(20)29-14-21(23)24(31)32/h2-14H,15H2,1H3,(H,31,32)