[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H20N4O6S MolecularWeight: 408.4289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)/N

InChI

InChI=1S/C17H20N4O6S/c1-11(19)15(9-18)16(23)10-27-17(24)7-8-20-28(25,26)14-5-3-13(4-6-14)21-12(2)22/h3-6,20H,7-8,10,19H2,1-2H3,(H,21,22)/b15-11+