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

Systemtic Name: 2-methoxy-5-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(1-methylsulfonylindoline-5-carbonyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]methyl]benzoic acid Traditional Name: 5-[[(1-mesylindoline-5-carbonyl)amino]methyl]-2-methoxy-benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C19H20N2O6S/c1-27-17-6-3-12(9-15(17)19(23)24)11-20-18(22)14-4-5-16-13(10-14)7-8-21(16)28(2,25)26/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,23,24)