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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)S(=O)(=O)N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)S(=O)(=O)N.[Na+]

InChI

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