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

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O5S/c1-28(25,26)18-9-5-3-7-16(18)20(24)27-13-19(23)21-11-10-14-12-22-17-8-4-2-6-15(14)17/h2-9,12,22H,10-11,13H2,1H3,(H,21,23)