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

Systemtic Name: 2-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(1-methylsulfonylindoline-5-carbonyl)amino]terephthalic acid CAS Name: 2-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1-mesylindoline-5-carbonyl)amino]terephthalic acid Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O7S/c1-28(26,27)20-7-6-10-8-11(3-5-15(10)20)16(21)19-14-9-12(17(22)23)2-4-13(14)18(24)25/h2-5,8-9H,6-7H2,1H3,(H,19,21)(H,22,23)(H,24,25)