[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-[(4-isopropylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-cumenylsulfonylamino)propionic 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)CCNS(=O)(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-15(2)18-7-9-19(10-8-18)29(26,27)23-12-11-22(25)28-14-21(24)20-13-16(3)5-6-17(20)4/h5-10,13,15,23H,11-12,14H2,1-4H3