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

Systemtic Name: N-[[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[[4-hydroxy-1-[2-(5-methoxybenzofuran-3-yl)ethyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[[4-hydroxy-1-[2-(5-methoxy-3-benzofuranyl)ethyl]-4-piperidinyl]methyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[[4-hydroxy-1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[[4-hydroxy-1-[2-(5-methoxybenzofuran-3-yl)ethyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=COC3=C2C=C(C=C3)OC)O)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=COC3=C2C=C(C=C3)OC)O)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C27H31N3O5S/c1-29(36(32,33)26-5-3-4-20-17-28-12-8-23(20)26)19-27(31)10-14-30(15-11-27)13-9-21-18-35-25-7-6-22(34-2)16-24(21)25/h3-8,12,16-18,31H,9-11,13-15,19H2,1-2H3