[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H19NO5S MolecularWeight: 385.43356

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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)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

InChI

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