3-methyl-4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(1-methylsulfonylindoline-5-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-mesylindoline-5-carbonyl)amino]-3-methyl-benzoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O5S/c1-11-9-14(18(22)23)3-5-15(11)19-17(21)13-4-6-16-12(10-13)7-8-20(16)26(2,24)25/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,22,23)