N-[bis(azanyl)methylidene]-9-(methylsulfamoyl)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-9-(methylsulfamoyl)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-9-(methylsulfamoyl)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-9-(methylsulfamoyl)-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-9-(methylsulfamoyl)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-9-(methylsulfamoyl)-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C14H20N4O7S2 MolecularWeight: 420.4612

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C13H16N4O4S.CH4O3S/c1-16-22(19,20)10-4-2-3-8-7-9(5-6-21-11(8)10)12(18)17-13(14)15;1-5(2,3)4/h2-4,7,16H,5-6H2,1H3,(H4,14,15,17,18);1H3,(H,2,3,4)