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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC2=C(N=C(C=C21)CCC3=COC4=CC=CC=C43)C5CCNCC5

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC2=C(N=C(C=C21)CCC3=COC4=CC=CC=C43)C5CCNCC5

InChI

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