disodium 1-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]amino]-3-phenyl-propane-1,3-disulfonate

Systemtic Name: disodium 1-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]amino]-3-phenyl-propane-1,3-disulfonate Openeye Name: disodium 1-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]-3-phenyl-propane-1,3-disulfonate CAS Name: disodium 1-[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]anilino]-3-phenylpropane-1,3-disulfonate IUPAC Name: disodium 1-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]-3-phenylpropane-1,3-disulfonate Traditional Name: disodium 1-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]-3-phenyl-propane-1,3-disulfonate Formula: C20H20N4Na2O9S3 MolecularWeight: 602.56874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(CC(C3=CC=CC=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(CC(C3=CC=CC=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H22N4O9S3.2Na/c1-33-19-12-11-18(22-23-19)24-34(25,26)16-9-7-15(8-10-16)21-20(36(30,31)32)13-17(35(27,28)29)14-5-3-2-4-6-14;;/h2-12,17,20-21H,13H2,1H3,(H,22,24)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2