[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-13-5-7-18(14(2)11-13)22-20(24)15(3)28-21(25)17-6-8-19-16(12-17)9-10-23(19)29(4,26)27/h5-8,11-12,15H,9-10H2,1-4H3,(H,22,24)