sodium (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]amino]methanesulfonate

Systemtic Name: sodium (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]amino]methanesulfonate Openeye Name: sodium (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]methanesulfonate CAS Name: sodium (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]anilino]methanesulfonate IUPAC Name: sodium (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]methanesulfonate Traditional Name: sodium (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]methanesulfonate Formula: C23H23N6NaO7S2 MolecularWeight: 582.58449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H24N6O7S2.Na/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19;/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35);/q;+1/p-1