N-[1-[4-(2,3-dihydro-1-benzofuran-5-yloxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[4-(2,3-dihydro-1-benzofuran-5-yloxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[4-(2,3-dihydrobenzofuran-5-yloxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-[4-(2,3-dihydrobenzofuran-5-yloxy)butyl]-4-piperidinyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[4-(2,3-dihydro-1-benzofuran-5-yloxy)butyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-coumaran-5-yloxybutyl)-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCOC2=CC3=C(C=C2)OCC3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C1CCN(CC1)CCCCOC2=CC3=C(C=C2)OCC3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C27H33N3O4S/c1-29(35(31,32)27-6-4-5-22-20-28-13-9-25(22)27)23-10-15-30(16-11-23)14-2-3-17-33-24-7-8-26-21(19-24)12-18-34-26/h4-9,13,19-20,23H,2-3,10-12,14-18H2,1H3