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

Systemtic Name: N-[1-[2-[2-(1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[2-[2-(benzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[2-[2-(3-benzofuranyl)ethyl]-4-hydroxy-4-piperidinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[2-[2-(1-benzofuran-3-yl)ethyl]-4-hydroxypiperidin-4-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[2-[2-(benzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]ethyl]isoquinoline-5-sulfonamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCNC(C1)CCC2=COC3=CC=CC=C32)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC(C1(CCNC(C1)CCC2=COC3=CC=CC=C32)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H29N3O4S/c1-18(29-34(31,32)25-8-4-5-19-16-27-13-11-23(19)25)26(30)12-14-28-21(15-26)10-9-20-17-33-24-7-3-2-6-22(20)24/h2-8,11,13,16-18,21,28-30H,9-10,12,14-15H2,1H3