3-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-3-methyl-benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C19H20N2O5S/c1-12-10-15(19(23)24)5-7-16(12)20-18(22)14-6-8-17-13(11-14)4-3-9-21(17)27(2,25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)(H,23,24)