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

Systemtic Name: 3-methyl-4-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(2-methyl-1-methylsulfonyl-indoline-5-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-mesyl-2-methyl-indoline-5-carbonyl)amino]-3-methyl-benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-11-8-14(19(23)24)4-6-16(11)20-18(22)13-5-7-17-15(10-13)9-12(2)21(17)27(3,25)26/h4-8,10,12H,9H2,1-3H3,(H,20,22)(H,23,24)