N-[bis(azanyl)methylidene]-3-(2,3-dihydro-1-benzofuran-4-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2,3-dihydro-1-benzofuran-4-yl)benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-3-(2,3-dihydrobenzofuran-4-yl)benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-(2,3-dihydrobenzofuran-4-yl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-(2,3-dihydro-1-benzofuran-4-yl)benzamide; methanesulfonate Traditional Name: 3-coumaran-4-yl-N-(diaminomethylene)benzamide mesylate Formula: C17H18N3O5S- MolecularWeight: 376.40692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1COC2=CC=CC(=C21)C3=CC(=CC=C3)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1COC2=CC=CC(=C21)C3=CC(=CC=C3)C(=O)N=C(N)N

InChI

InChI=1S/C16H15N3O2.CH4O3S/c17-16(18)19-15(20)11-4-1-3-10(9-11)12-5-2-6-14-13(12)7-8-21-14;1-5(2,3)4/h1-6,9H,7-8H2,(H4,17,18,19,20);1H3,(H,2,3,4)/p-1