[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-(1-esylindolin-5-yl)-2-keto-ethyl] ester Formula: C21H23NO7S2 MolecularWeight: 465.53982

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)CC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)CC

InChI

InChI=1S/C21H23NO7S2/c1-3-30(25,26)20-8-6-5-7-17(20)21(24)29-14-19(23)16-9-10-18-15(13-16)11-12-22(18)31(27,28)4-2/h5-10,13H,3-4,11-12,14H2,1-2H3