[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H21NO6S MolecularWeight: 463.50234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H21NO6S/c1-16-11-12-17(2)24(13-16)33(29,30)32-23-10-6-4-8-19(23)25(28)31-15-22(27)20-14-26-21-9-5-3-7-18(20)21/h3-14,26H,15H2,1-2H3