N-[bis(azanyl)methylidene]-4-oxidanyl-3-pyrrol-1-yl-benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-4-oxidanyl-3-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-4-hydroxy-3-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-4-hydroxy-3-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-4-hydroxy-3-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-4-hydroxy-3-pyrrol-1-yl-benzamide mesylate Formula: C13H15N4O5S- MolecularWeight: 339.347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2.CH4O3S/c13-12(14)15-11(18)8-3-4-10(17)9(7-8)16-5-1-2-6-16;1-5(2,3)4/h1-7,17H,(H4,13,14,15,18);1H3,(H,2,3,4)/p-1