2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-imidazol-1-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-imidazol-1-ylpyridin-3-yl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridyl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-[6-(1-imidazolyl)-3-pyridinyl]acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-imidazol-1-ylpyridin-3-yl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridyl)acetamide Formula: C20H21N5O5S MolecularWeight: 443.47624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CN=C(C=C1)N2C=CN=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)NC1=CN=C(C=C1)N2C=CN=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N5O5S/c1-24(31(27,28)16-4-5-17-18(11-16)30-10-2-9-29-17)13-20(26)23-15-3-6-19(22-12-15)25-8-7-21-14-25/h3-8,11-12,14H,2,9-10,13H2,1H3,(H,23,26)