sodium [[4-[(3-sulfamoylphenyl)diazenyl]phenyl]amino]methanesulfonate

Systemtic Name: sodium [[4-[(3-sulfamoylphenyl)diazenyl]phenyl]amino]methanesulfonate Openeye Name: sodium [4-(3-sulfamoylphenyl)azoanilino]methanesulfonate CAS Name: sodium [4-(3-sulfamoylphenyl)azoanilino]methanesulfonate IUPAC Name: sodium [4-[(3-sulfamoylphenyl)diazenyl]anilino]methanesulfonate Traditional Name: sodium [4-(3-sulfamoylphenyl)azoanilino]methanesulfonate Formula: C13H13N4NaO5S2 MolecularWeight: 392.38589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)N=NC2=CC=C(C=C2)NCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)N=NC2=CC=C(C=C2)NCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H14N4O5S2.Na/c14-24(21,22)13-3-1-2-12(8-13)17-16-11-6-4-10(5-7-11)15-9-23(18,19)20;/h1-8,15H,9H2,(H2,14,21,22)(H,18,19,20);/q;+1/p-1