[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=C(C=CC(=C1)C)C

InChI

InChI=1S/C17H25N3O6S/c1-4-8-18-17(23)20-15(21)11-26-16(22)7-9-19-27(24,25)14-10-12(2)5-6-13(14)3/h5-6,10,19H,4,7-9,11H2,1-3H3,(H2,18,20,21,23)