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

Systemtic Name: 3-[2-(1-benzofuran-3-yl)ethyl]-1-piperidin-4-yl-isoquinoline-5-sulfonamide Openeye Name: 3-[2-(benzofuran-3-yl)ethyl]-1-(4-piperidyl)isoquinoline-5-sulfonamide CAS Name: 3-[2-(3-benzofuranyl)ethyl]-1-(4-piperidinyl)-5-isoquinolinesulfonamide IUPAC Name: 3-[2-(1-benzofuran-3-yl)ethyl]-1-piperidin-4-ylisoquinoline-5-sulfonamide Traditional Name: 3-[2-(benzofuran-3-yl)ethyl]-1-(4-piperidyl)isoquinoline-5-sulfonamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C3C=CC=C(C3=CC(=N2)CCC4=COC5=CC=CC=C54)S(=O)(=O)N

Isomeric SMILES

C1CNCCC1C2=C3C=CC=C(C3=CC(=N2)CCC4=COC5=CC=CC=C54)S(=O)(=O)N

InChI

InChI=1S/C24H25N3O3S/c25-31(28,29)23-7-3-5-20-21(23)14-18(27-24(20)16-10-12-26-13-11-16)9-8-17-15-30-22-6-2-1-4-19(17)22/h1-7,14-16,26H,8-13H2,(H2,25,28,29)