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

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H15NO5S/c1-25(22,23)13-6-4-5-12(9-13)18(21)24-11-17(20)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3