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

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic 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-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-21(2)17-6-4-5-16(12-17)20(24)27-13-19(23)15-7-8-18-14(11-15)9-10-22(18)28(3,25)26/h4-8,11-12H,9-10,13H2,1-3H3