[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22N4O7S MolecularWeight: 426.44418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NCC=C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C17H22N4O7S/c1-3-9-18-17(25)21-15(23)11-28-16(24)8-10-19-29(26,27)14-6-4-13(5-7-14)20-12(2)22/h3-7,19H,1,8-11H2,2H3,(H,20,22)(H2,18,21,23,25)