methanesulfonic acid; (4-sulfamoylphenyl) 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: methanesulfonic acid; (4-sulfamoylphenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: methanesulfonic acid; (4-sulfamoylphenyl) 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-sulfamoylphenyl) ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; (4-sulfamoylphenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (4-sulfamoylphenyl) ester; mesylic acid Formula: C15H18N4O7S2 MolecularWeight: 430.45602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)S(=O)(=O)N)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)S(=O)(=O)N)N=C(N)N

InChI

InChI=1S/C14H14N4O4S.CH4O3S/c15-14(16)18-10-3-1-9(2-4-10)13(19)22-11-5-7-12(8-6-11)23(17,20)21;1-5(2,3)4/h1-8H,(H4,15,16,18)(H2,17,20,21);1H3,(H,2,3,4)