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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H24N2O5S/c1-13-5-7-18(9-14(13)2)22-20(24)12-28-21(25)16-6-8-19-17(11-16)10-15(3)23(19)29(4,26)27/h5-9,11,15H,10,12H2,1-4H3,(H,22,24)/t15-/m1/s1