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

Systemtic Name: N-[[1-[2-(5-fluoranyl-1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[1-[2-(5-fluorobenzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[1-[2-(5-fluoro-3-benzofuranyl)ethyl]-4-hydroxy-4-piperidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[[1-[2-(5-fluorobenzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]methyl]isoquinoline-5-sulfonamide Formula: C25H26FN3O4S MolecularWeight: 483.555043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)O)CCC4=COC5=C4C=C(C=C5)F

Isomeric SMILES

C1CN(CCC1(CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)O)CCC4=COC5=C4C=C(C=C5)F

InChI

InChI=1S/C25H26FN3O4S/c26-20-4-5-23-22(14-20)19(16-33-23)7-11-29-12-8-25(30,9-13-29)17-28-34(31,32)24-3-1-2-18-15-27-10-6-21(18)24/h1-6,10,14-16,28,30H,7-9,11-13,17H2