[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H19NO5S/c1-12-18(16-9-4-5-10-17(16)21-12)19(22)13(2)26-20(23)14-7-6-8-15(11-14)27(3,24)25/h4-11,13,21H,1-3H3