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

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methylbenzofuran-3-yl)ethanone CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methyl-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone Traditional Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(6-methylbenzofuran-3-yl)ethanone Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O4S/c1-16-3-8-20-17(15-29-21(20)13-16)14-22(26)24-9-2-10-25(12-11-24)30(27,28)19-6-4-18(23)5-7-19/h3-8,13,15H,2,9-12,14H2,1H3