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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Traditional Name: 4-(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=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S2/c1-26-11-9-24-22(26)32-14-10-23-21(27)16-3-5-17(6-4-16)25-33(28,29)18-7-8-19-20(15-18)31-13-2-12-30-19/h3-9,11,15,25H,2,10,12-14H2,1H3,(H,23,27)