2-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(2-methyl-1-methylsulfonyl-indoline-5-carbonyl)amino]terephthalic acid CAS Name: 2-[[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1-mesyl-2-methyl-indoline-5-carbonyl)amino]terephthalic acid Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H18N2O7S/c1-10-7-13-8-11(4-6-16(13)21(10)29(2,27)28)17(22)20-15-9-12(18(23)24)3-5-14(15)19(25)26/h3-6,8-10H,7H2,1-2H3,(H,20,22)(H,23,24)(H,25,26)