3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]benzamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]benzamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H24N4O5S2/c1-26-10-8-24-22(26)32-13-9-23-21(27)16-4-2-5-17(14-16)25-33(28,29)18-6-7-19-20(15-18)31-12-3-11-30-19/h2,4-8,10,14-15,25H,3,9,11-13H2,1H3,(H,23,27)