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

Systemtic Name: 2-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]terephthalic acid CAS Name: 2-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]terephthalic acid Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H18N2O7S/c1-29(27,28)21-8-2-3-11-9-12(5-7-16(11)21)17(22)20-15-10-13(18(23)24)4-6-14(15)19(25)26/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)(H,23,24)(H,25,26)