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

Systemtic Name: 3-[2-(1-benzofuran-3-yl)ethyl]-4-bromanyl-1-piperidin-4-yl-isoquinoline-5-sulfonamide Openeye Name: 3-[2-(benzofuran-3-yl)ethyl]-4-bromo-1-(4-piperidyl)isoquinoline-5-sulfonamide CAS Name: 3-[2-(3-benzofuranyl)ethyl]-4-bromo-1-(4-piperidinyl)-5-isoquinolinesulfonamide IUPAC Name: 3-[2-(1-benzofuran-3-yl)ethyl]-4-bromo-1-piperidin-4-ylisoquinoline-5-sulfonamide Traditional Name: 3-[2-(benzofuran-3-yl)ethyl]-4-bromo-1-(4-piperidyl)isoquinoline-5-sulfonamide Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NC(=C(C3=C2C=CC=C3S(=O)(=O)N)Br)CCC4=COC5=CC=CC=C54

Isomeric SMILES

C1CNCCC1C2=NC(=C(C3=C2C=CC=C3S(=O)(=O)N)Br)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C24H24BrN3O3S/c25-23-19(9-8-16-14-31-20-6-2-1-4-17(16)20)28-24(15-10-12-27-13-11-15)18-5-3-7-21(22(18)23)32(26,29)30/h1-7,14-15,27H,8-13H2,(H2,26,29,30)