2-chloranyl-4-[[1-(2-methoxy-5-methyl-phenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbonylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[[1-(2-methoxy-5-methyl-phenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbonylamino]benzoic acid Openeye Name: 2-chloro-4-[[1-(2-methoxy-5-methyl-phenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]benzoic acid CAS Name: 2-chloro-4-[[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]benzoic acid Traditional Name: 2-chloro-4-[[1-(2-methoxy-5-methyl-phenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]benzoic acid Formula: C25H23ClN2O6S MolecularWeight: 514.97792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=C2C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=C2C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C25H23ClN2O6S/c1-15-5-10-22(34-2)23(12-15)35(32,33)28-11-3-4-16-6-7-17(13-21(16)28)24(29)27-18-8-9-19(25(30)31)20(26)14-18/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H,30,31)