[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C21H19NO6S/c1-14-5-6-15(2)20(12-14)29(25,26)28-17-9-7-16(8-10-17)21(24)27-13-19(23)18-4-3-11-22-18/h3-12,22H,13H2,1-2H3