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

Systemtic Name: N-[bis(azanyl)methylidene]-9-sulfamoyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-9-sulfamoyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-9-sulfamoyl-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-9-sulfamoyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-9-sulfamoyl-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C13H18N4O7S2 MolecularWeight: 406.43462

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1COC2=C(C=CC=C2S(=O)(=O)N)C=C1C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.C1COC2=C(C=CC=C2S(=O)(=O)N)C=C1C(=O)N=C(N)N

InChI

InChI=1S/C12H14N4O4S.CH4O3S/c13-12(14)16-11(17)8-4-5-20-10-7(6-8)2-1-3-9(10)21(15,18)19;1-5(2,3)4/h1-3,6H,4-5H2,(H2,15,18,19)(H4,13,14,16,17);1H3,(H,2,3,4)