[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO5S/c1-4-17-8-9-18(5-2)20(14-17)21(24)15-28-22(25)12-13-23-29(26,27)19-10-6-16(3)7-11-19/h6-11,14,23H,4-5,12-13,15H2,1-3H3