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

Systemtic Name: N-[1-[1-(1-benzofuran-3-yl)-3-fluoranyl-propan-2-yl]piperidin-4-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[1-(benzofuran-3-ylmethyl)-2-fluoro-ethyl]-4-piperidyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[1-(3-benzofuranyl)-3-fluoropropan-2-yl]-4-piperidinyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[1-(1-benzofuran-3-yl)-3-fluoropropan-2-yl]piperidin-4-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[1-(benzofuran-3-ylmethyl)-2-fluoro-ethyl]-4-piperidyl]isoquinoline-5-sulfonamide Formula: C25H26FN3O3S MolecularWeight: 467.555643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(CC4=COC5=CC=CC=C54)CF

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(CC4=COC5=CC=CC=C54)CF

InChI

InChI=1S/C25H26FN3O3S/c26-15-21(14-19-17-32-24-6-2-1-5-22(19)24)29-12-9-20(10-13-29)28-33(30,31)25-7-3-4-18-16-27-11-8-23(18)25/h1-8,11,16-17,20-21,28H,9-10,12-15H2