1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methoxybenzofuran-3-yl)ethanone CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methoxy-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone Traditional Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methoxybenzofuran-3-yl)ethanone Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O5S/c1-29-18-5-8-20-16(15-30-21(20)14-18)13-22(26)24-9-2-10-25(12-11-24)31(27,28)19-6-3-17(23)4-7-19/h3-8,14-15H,2,9-13H2,1H3