N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(piazthiol-4-ylsulfonylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCCNS(=O)(=O)C3=CC=CC4=NSN=C43)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCCNS(=O)(=O)C3=CC=CC4=NSN=C43)OC1

InChI

InChI=1S/C18H18N4O5S2/c23-18(12-5-6-14-15(11-12)27-10-2-9-26-14)19-7-8-20-29(24,25)16-4-1-3-13-17(16)22-28-21-13/h1,3-6,11,20H,2,7-10H2,(H,19,23)