[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butyric acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C22H27NO5S/c1-15-7-8-17(3)20(12-15)21(24)14-28-22(25)6-5-11-23-29(26,27)19-10-9-16(2)18(4)13-19/h7-10,12-13,23H,5-6,11,14H2,1-4H3