[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C20H21NO5S/c1-13-8-9-16(27(3,24)25)12-17(13)20(23)26-14(2)19(22)21-11-10-15-6-4-5-7-18(15)21/h4-9,12,14H,10-11H2,1-3H3