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

Systemtic Name: 3-[3-(1-benzofuran-2-yl)propyl]-N-methyl-1-piperidin-4-yl-isoquinoline-5-sulfonamide Openeye Name: 3-[3-(benzofuran-2-yl)propyl]-N-methyl-1-(4-piperidyl)isoquinoline-5-sulfonamide CAS Name: 3-[3-(2-benzofuranyl)propyl]-N-methyl-1-(4-piperidinyl)-5-isoquinolinesulfonamide IUPAC Name: 3-[3-(1-benzofuran-2-yl)propyl]-N-methyl-1-piperidin-4-ylisoquinoline-5-sulfonamide Traditional Name: 3-[3-(benzofuran-2-yl)propyl]-N-methyl-1-(4-piperidyl)isoquinoline-5-sulfonamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC2=C(N=C(C=C21)CCCC3=CC4=CC=CC=C4O3)C5CCNCC5

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC2=C(N=C(C=C21)CCCC3=CC4=CC=CC=C4O3)C5CCNCC5

InChI

InChI=1S/C26H29N3O3S/c1-27-33(30,31)25-11-5-9-22-23(25)17-20(29-26(22)18-12-14-28-15-13-18)7-4-8-21-16-19-6-2-3-10-24(19)32-21/h2-3,5-6,9-11,16-18,27-28H,4,7-8,12-15H2,1H3