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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CCC4=COC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O3S/c29-32(30,25-7-3-4-20-17-26-12-8-23(20)25)27-16-19-9-13-28(14-10-19)15-11-21-18-31-24-6-2-1-5-22(21)24/h1-8,12,17-19,27H,9-11,13-16H2