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

Systemtic Name: sodium [methyl-[4-[(3-sulfamoylphenyl)diazenyl]phenyl]amino]methanesulfonate Openeye Name: sodium [N-methyl-4-(3-sulfamoylphenyl)azo-anilino]methanesulfonate CAS Name: sodium [N-methyl-4-(3-sulfamoylphenyl)azoanilino]methanesulfonate IUPAC Name: sodium [N-methyl-4-[(3-sulfamoylphenyl)diazenyl]anilino]methanesulfonate Traditional Name: sodium [N-methyl-4-(3-sulfamoylphenyl)azo-anilino]methanesulfonate Formula: C14H15N4NaO5S2 MolecularWeight: 406.41247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O5S2.Na/c1-18(10-24(19,20)21)13-7-5-11(6-8-13)16-17-12-3-2-4-14(9-12)25(15,22)23;/h2-9H,10H2,1H3,(H2,15,22,23)(H,19,20,21);/q;+1/p-1