2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-methoxy-phenoxy]acetamide CAS Name: 2-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-methoxyphenoxy]acetamide IUPAC Name: 2-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-methoxyphenoxy]acetamide Traditional Name: 2-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-methoxy-phenoxy]acetamide Formula: C21H24FN3O6S MolecularWeight: 465.495163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OCC(=O)N

InChI

InChI=1S/C21H24FN3O6S/c1-30-19-13-15(3-8-18(19)31-14-20(23)26)21(27)24-9-2-10-25(12-11-24)32(28,29)17-6-4-16(22)5-7-17/h3-8,13H,2,9-12,14H2,1H3,(H2,23,26)