[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O6S/c1-13(23)21-17-5-3-4-16(11-17)20(25)28-12-19(24)15-6-7-18-14(10-15)8-9-22(18)29(2,26)27/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)