methyl 4-[(4-methylphenyl)sulfonylamino]-8-phenylmethoxy-quinoline-2-carboxylate

Systemtic Name: methyl 4-[(4-methylphenyl)sulfonylamino]-8-phenylmethoxy-quinoline-2-carboxylate Openeye Name: methyl 8-benzyloxy-4-(p-tolylsulfonylamino)quinoline-2-carboxylate CAS Name: 4-[(4-methylphenyl)sulfonylamino]-8-phenylmethoxy-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-methylphenyl)sulfonylamino]-8-phenylmethoxyquinoline-2-carboxylate Traditional Name: 8-benzoxy-4-(tosylamino)quinaldic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC3=C2C=CC=C3OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC3=C2C=CC=C3OCC4=CC=CC=C4)C(=O)OC

InChI

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