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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-13-4-6-17(10-14(13)2)21-19(23)12-27-20(24)16-5-7-18-15(11-16)8-9-22(18)28(3,25)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)