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

Systemtic Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCC2=COC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C1CCN(CC1)CCC2=COC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H27N3O3S/c1-27(32(29,30)25-8-4-5-19-17-26-13-9-23(19)25)21-11-15-28(16-12-21)14-10-20-18-31-24-7-3-2-6-22(20)24/h2-9,13,17-18,21H,10-12,14-16H2,1H3