N-[bis(azanyl)methylidene]-3-(hydroxymethyl)-5-pyrrol-1-yl-benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(hydroxymethyl)-5-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-3-(hydroxymethyl)-5-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-(hydroxymethyl)-5-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-3-methylol-5-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=CC(=CC(=C2)CO)C(=O)N=C(N)N

Isomeric SMILES

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

InChI

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