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

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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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)OC(C)C(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-15-6-7-16(2)20(14-15)30(26,27)29-19-10-8-18(9-11-19)22(25)28-17(3)21(24)23-12-4-5-13-23/h6-11,14,17H,4-5,12-13H2,1-3H3