N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide Formula: C21H23N5O7S MolecularWeight: 489.50162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3)OC1

InChI

InChI=1S/C21H23N5O7S/c27-21(22-15-2-5-19-20(12-15)32-9-1-8-31-19)14-33-26-18-13-16(3-4-17(18)23-24-26)34(28,29)25-6-10-30-11-7-25/h2-5,12-13H,1,6-11,14H2,(H,22,27)