[2-oxidanylidene-2-(phenethylamino)ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O5S/c1-16-8-9-19(14-17(16)2)29(26,27)23-13-11-21(25)28-15-20(24)22-12-10-18-6-4-3-5-7-18/h3-9,14,23H,10-13,15H2,1-2H3,(H,22,24)