(4-sulfamoylphenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride

Systemtic Name: (4-sulfamoylphenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (4-sulfamoylphenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-sulfamoylphenyl) ester hydrochloride IUPAC Name: (4-sulfamoylphenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (4-sulfamoylphenyl) ester hydrochloride Formula: C14H15ClN4O4S MolecularWeight: 370.8113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S.ClH/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;/h1-8H,(H4,15,16,18)(H2,17,20,21);1H