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

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-8-methyl-quinoline-3-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-8-methyl-quinoline-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-8-methyl-3-quinolinecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-8-methylquinoline-3-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-8-methyl-quinoline-3-carboxylic acid Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=CN=C12)C(=O)O)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC2=C(C(=CN=C12)C(=O)O)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22N2O5S/c1-17-7-6-10-21-23(17)26-15-22(25(28)29)24(21)27(16-18-8-4-3-5-9-18)33(30,31)20-13-11-19(32-2)12-14-20/h3-15H,16H2,1-2H3,(H,28,29)