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

Systemtic Name: N-[bis(azanyl)methylidene]-9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(diaminomethylene)-9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-(diaminomethylidene)-9-ethylsulfonyl-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(diaminomethylidene)-9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(diaminomethylene)-9-esyl-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C14H17N3O4S/c1-2-22(19,20)11-5-3-4-9-8-10(6-7-21-12(9)11)13(18)17-14(15)16/h3-5,8H,2,6-7H2,1H3,(H4,15,16,17,18)