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

Systemtic Name: 2-methoxy-5-[[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-methyl-1-methylsulfonyl-indoline-5-carbonyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]methyl]benzoic acid Traditional Name: 5-[[(1-mesyl-2-methyl-indoline-5-carbonyl)amino]methyl]-2-methoxy-benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C20H22N2O6S/c1-12-8-15-10-14(5-6-17(15)22(12)29(3,26)27)19(23)21-11-13-4-7-18(28-2)16(9-13)20(24)25/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,23)(H,24,25)