3-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]-1-piperidin-4-yl-isoquinoline-5-sulfonamide

Systemtic Name: 3-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]-1-piperidin-4-yl-isoquinoline-5-sulfonamide Openeye Name: 3-[2-(6-methoxybenzofuran-3-yl)ethyl]-1-(4-piperidyl)isoquinoline-5-sulfonamide CAS Name: 3-[2-(6-methoxy-3-benzofuranyl)ethyl]-1-(4-piperidinyl)-5-isoquinolinesulfonamide IUPAC Name: 3-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]-1-piperidin-4-ylisoquinoline-5-sulfonamide Traditional Name: 3-[2-(6-methoxybenzofuran-3-yl)ethyl]-1-(4-piperidyl)isoquinoline-5-sulfonamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CCC3=NC(=C4C=CC=C(C4=C3)S(=O)(=O)N)C5CCNCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CCC3=NC(=C4C=CC=C(C4=C3)S(=O)(=O)N)C5CCNCC5

InChI

InChI=1S/C25H27N3O4S/c1-31-19-7-8-20-17(15-32-23(20)14-19)5-6-18-13-22-21(3-2-4-24(22)33(26,29)30)25(28-18)16-9-11-27-12-10-16/h2-4,7-8,13-16,27H,5-6,9-12H2,1H3,(H2,26,29,30)