3,4-dimethyl-5-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[5-(2-methylthiazol-4-yl)indolin-1-yl]sulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-[[5-(2-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[5-(2-methylthiazol-4-yl)indolin-1-yl]sulfonyl-benzoic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)C)C

InChI

InChI=1S/C21H20N2O4S2/c1-12-8-17(21(24)25)10-20(13(12)2)29(26,27)23-7-6-16-9-15(4-5-19(16)23)18-11-28-14(3)22-18/h4-5,8-11H,6-7H2,1-3H3,(H,24,25)