N-[[1-[2-(5-fluoranyl-1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[[1-[2-(5-fluoranyl-1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[[1-[2-(5-fluorobenzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[[1-[2-(5-fluoro-3-benzofuranyl)ethyl]-4-hydroxy-4-piperidinyl]methyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[[1-[2-(5-fluorobenzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C26H28FN3O4S MolecularWeight: 497.581623

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=COC3=C2C=C(C=C3)F)O)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=COC3=C2C=C(C=C3)F)O)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H28FN3O4S/c1-29(35(32,33)25-4-2-3-19-16-28-11-7-22(19)25)18-26(31)9-13-30(14-10-26)12-8-20-17-34-24-6-5-21(27)15-23(20)24/h2-7,11,15-17,31H,8-10,12-14,18H2,1H3