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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(hydroxymethyl)-3-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-4-(hydroxymethyl)-3-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-4-(hydroxymethyl)-3-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-4-(hydroxymethyl)-3-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-4-methylol-3-pyrrol-1-yl-benzamide mesylate Formula: C14H17N4O5S- MolecularWeight: 353.37358

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2.CH4O3S/c14-13(15)16-12(19)9-3-4-10(8-18)11(7-9)17-5-1-2-6-17;1-5(2,3)4/h1-7,18H,8H2,(H4,14,15,16,19);1H3,(H,2,3,4)/p-1