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

Systemtic Name: N-[bis(azanyl)methylidene]-9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-9-ethylsulfonyl-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-9-esyl-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C15H21N3O7S2 MolecularWeight: 419.47314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S.CH4O3S/c1-2-22(19,20)11-5-3-4-9-8-10(6-7-21-12(9)11)13(18)17-14(15)16;1-5(2,3)4/h3-5,8H,2,6-7H2,1H3,(H4,15,16,17,18);1H3,(H,2,3,4)