[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H25N3O8S MolecularWeight: 431.4607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O8S/c1-4-8-18-17(23)20-15(21)11-28-16(22)7-9-19-29(24,25)12-5-6-13(26-2)14(10-12)27-3/h5-6,10,19H,4,7-9,11H2,1-3H3,(H2,18,20,21,23)