(E)-3-[4-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]sulfamoyl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]sulfamoyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]sulfamoyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]sulfamoyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]sulfamoyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]phenyl]acrylate Formula: C21H19N4O6S- MolecularWeight: 455.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C=CC(=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)[O-]

InChI

InChI=1S/C21H20N4O6S/c1-13(2)25-21(29)17-6-4-3-5-16(17)19(23-25)20(28)22-24-32(30,31)15-10-7-14(8-11-15)9-12-18(26)27/h3-13,24H,1-2H3,(H,22,28)(H,26,27)/p-1/b12-9+