N-[bis(azanyl)methylidene]-3-(2-sulfamoylthiophen-3-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-sulfamoylthiophen-3-yl)benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-3-(2-sulfamoyl-3-thienyl)benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-(2-sulfamoyl-3-thiophenyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-(2-sulfamoylthiophen-3-yl)benzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-3-(2-sulfamoyl-3-thienyl)benzamide mesylate Formula: C13H15N4O6S3- MolecularWeight: 419.4764

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C(SC=C2)S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C(SC=C2)S(=O)(=O)N

InChI

InChI=1S/C12H12N4O3S2.CH4O3S/c13-12(14)16-10(17)8-3-1-2-7(6-8)9-4-5-20-11(9)21(15,18)19;1-5(2,3)4/h1-6H,(H2,15,18,19)(H4,13,14,16,17);1H3,(H,2,3,4)/p-1