[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [1-methyl-2-(2-methylindolin-1-yl)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-1-methyl-2-(2-methylindolin-1-yl)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

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