(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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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)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCC3

InChI

InChI=1S/C21H23NO6S/c1-15-5-6-16(2)19(13-15)29(25,26)28-18-9-7-17(8-10-18)21(24)27-14-20(23)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3