N-[bis(azanyl)methylidene]-7-chloranyl-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-7-chloranyl-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 7-chloro-N-(diaminomethylene)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-chloro-N-(diaminomethylidene)-9-methylsulfonyl-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-chloro-N-(diaminomethylidene)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 7-chloro-N-(diaminomethylene)-9-mesyl-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C13H14ClN3O4S MolecularWeight: 343.78596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=CC(=C1)Cl)C=C(CCO2)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)C1=C2C(=CC(=C1)Cl)C=C(CCO2)C(=O)N=C(N)N

InChI

InChI=1S/C13H14ClN3O4S/c1-22(19,20)10-6-9(14)5-8-4-7(2-3-21-11(8)10)12(18)17-13(15)16/h4-6H,2-3H2,1H3,(H4,15,16,17,18)