2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-7-(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)C2=C(C(=NC3=CC(=CC(=C32)CC4=CC=CC=C4)C(F)(F)F)N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC3=CC(=CC(=C32)CC4=CC=CC=C4)C(F)(F)F)N)C(=O)O

InChI

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