[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-fluoro-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(5-fluoro-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(5-fluoro-3-methyl-benzofuran-2-yl)methanone Formula: C20H26FN3O4S MolecularWeight: 423.501543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H26FN3O4S/c1-15-17-14-16(21)6-7-18(17)28-19(15)20(25)22-10-12-24(13-11-22)29(26,27)23-8-4-2-3-5-9-23/h6-7,14H,2-5,8-13H2,1H3