[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] quinoline-2-carboxylate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] quinoline-2-carboxylate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C25H22N2O4S/c1-17-8-14-22(16-18(17)2)32(29,30)27(3)20-10-12-21(13-11-20)31-25(28)24-15-9-19-6-4-5-7-23(19)26-24/h4-16H,1-3H3