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

Systemtic Name: N-[[1-[2-(1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[1-[2-(benzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[1-[2-(3-benzofuranyl)ethyl]-4-hydroxy-4-piperidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[2-(1-benzofuran-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[[1-[2-(benzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]methyl]isoquinoline-5-sulfonamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)O)CCC4=COC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1(CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)O)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O4S/c29-25(18-27-33(30,31)24-7-3-4-19-16-26-12-8-22(19)24)10-14-28(15-11-25)13-9-20-17-32-23-6-2-1-5-21(20)23/h1-8,12,16-17,27,29H,9-11,13-15,18H2