[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C17H19N3O6S/c1-12(21)20-13-4-6-14(7-5-13)27(24,25)19-10-8-17(23)26-11-16(22)15-3-2-9-18-15/h2-7,9,18-19H,8,10-11H2,1H3,(H,20,21)