[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethylindole-3-carboxylate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethylindole-3-carboxylate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 1-ethylindole-3-carboxylate CAS Name: 1-ethyl-3-indolecarboxylic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 1-ethylindole-3-carboxylate Traditional Name: 1-ethylindole-3-carboxylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O5S/c1-3-22-12-17(16-9-4-5-10-18(16)22)20(24)27-13-19(23)21-14-7-6-8-15(11-14)28(2,25)26/h4-12H,3,13H2,1-2H3,(H,21,23)