4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-8-(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=CC=C(C4=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=CC=C(C4=NC=C3C(=O)O)C(F)(F)F

InChI

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