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

Systemtic Name: N-[bis(azanyl)methylidene]-9-(dimethylsulfamoylamino)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-9-(dimethylsulfamoylamino)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-9-(dimethylsulfamoylamino)-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-9-(dimethylsulfamoylamino)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-9-(dimethylsulfamoylamino)-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C15H23N5O7S2 MolecularWeight: 449.50242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)NC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C14H19N5O4S.CH4O3S/c1-19(2)24(21,22)18-11-5-3-4-9-8-10(6-7-23-12(9)11)13(20)17-14(15)16;1-5(2,3)4/h3-5,8,18H,6-7H2,1-2H3,(H4,15,16,17,20);1H3,(H,2,3,4)