3-[4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]phenyl]propionic acid Formula: C23H26N4O6S MolecularWeight: 486.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C23H26N4O6S/c1-2-3-6-15-27-23(31)19-8-5-4-7-18(19)21(25-27)22(30)24-26-34(32,33)17-12-9-16(10-13-17)11-14-20(28)29/h4-5,7-10,12-13,26H,2-3,6,11,14-15H2,1H3,(H,24,30)(H,28,29)