3-[3-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: 3-[3-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[3-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: 3-[3-[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]sulfamoyl]-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[3-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[3-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]-4,5-dimethoxy-phenyl]acrylic acid Formula: C22H22N4O8S MolecularWeight: 502.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC(=CC(=C3OC)OC)C=CC(=O)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC(=CC(=C3OC)OC)C=CC(=O)O

InChI

InChI=1S/C22H22N4O8S/c1-4-26-22(30)15-8-6-5-7-14(15)19(24-26)21(29)23-25-35(31,32)17-12-13(9-10-18(27)28)11-16(33-2)20(17)34-3/h5-12,25H,4H2,1-3H3,(H,23,29)(H,27,28)