N-[bis(azanyl)methylidene]-3-(3,5-dimethoxyphenyl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(3,5-dimethoxyphenyl)benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-3-(3,5-dimethoxyphenyl)benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-(3,5-dimethoxyphenyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-(3,5-dimethoxyphenyl)benzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-3-(3,5-dimethoxyphenyl)benzamide mesylate Formula: C17H20N3O6S- MolecularWeight: 394.4222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3.CH4O3S/c1-21-13-7-12(8-14(9-13)22-2)10-4-3-5-11(6-10)15(20)19-16(17)18;1-5(2,3)4/h3-9H,1-2H3,(H4,17,18,19,20);1H3,(H,2,3,4)/p-1