sodium 2-methyl-4-[[3-[[4-(methylsulfonylsulfamoyl)-2-nitro-phenyl]amino]phenyl]diazenyl]phenolate

Systemtic Name: sodium 2-methyl-4-[[3-[[4-(methylsulfonylsulfamoyl)-2-nitro-phenyl]amino]phenyl]diazenyl]phenolate Openeye Name: sodium 2-methyl-4-[3-[4-(methylsulfonylsulfamoyl)-2-nitro-anilino]phenyl]azo-phenolate CAS Name: sodium 2-methyl-4-[3-[4-(methylsulfonylsulfamoyl)-2-nitroanilino]phenyl]azophenolate IUPAC Name: sodium 2-methyl-4-[[3-[4-(methylsulfonylsulfamoyl)-2-nitroanilino]phenyl]diazenyl]phenolate Traditional Name: sodium 4-[3-[4-(mesylsulfamoyl)-2-nitro-anilino]phenyl]azo-2-methyl-phenolate Formula: C20H18N5NaO7S2 MolecularWeight: 527.50599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NS(=O)(=O)C)[N+](=O)[O-])[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NS(=O)(=O)C)[N+](=O)[O-])[O-].[Na+]

InChI

InChI=1S/C20H19N5O7S2.Na/c1-13-10-16(6-9-20(13)26)23-22-15-5-3-4-14(11-15)21-18-8-7-17(12-19(18)25(27)28)34(31,32)24-33(2,29)30;/h3-12,21,24,26H,1-2H3;/q;+1/p-1