N-[bis(azanyl)methylidene]-2-methoxy-5-pyrrol-1-yl-benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-2-methoxy-5-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-2-methoxy-5-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-2-methoxy-5-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-2-methoxy-5-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-2-methoxy-5-pyrrol-1-yl-benzamide mesylate Formula: C14H17N4O5S- MolecularWeight: 353.37358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H14N4O2.CH4O3S/c1-19-11-5-4-9(17-6-2-3-7-17)8-10(11)12(18)16-13(14)15;1-5(2,3)4/h2-8H,1H3,(H4,14,15,16,18);1H3,(H,2,3,4)/p-1