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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (2-keto-2-piperidino-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=CC=C2C(=O)OCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO6S/c1-16-10-11-17(2)20(14-16)30(26,27)29-19-9-5-4-8-18(19)22(25)28-15-21(24)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3