N-[bis(azanyl)methylidene]-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride Openeye Name: N-(diaminomethylene)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride CAS Name: N-(diaminomethylidene)-9-methylsulfonyl-2,3-dihydro-1-benzoxepin-4-carboxamide hydrochloride IUPAC Name: N-(diaminomethylidene)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride Traditional Name: N-(diaminomethylene)-9-mesyl-2,3-dihydro-1-benzoxepin-4-carboxamide hydrochloride Formula: C13H16ClN3O4S MolecularWeight: 345.80184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S.ClH/c1-21(18,19)10-4-2-3-8-7-9(5-6-20-11(8)10)12(17)16-13(14)15;/h2-4,7H,5-6H2,1H3,(H4,14,15,16,17);1H