N-[[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[[4-hydroxy-1-[2-(7-methoxybenzofuran-3-yl)ethyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[[4-hydroxy-1-[2-(7-methoxy-3-benzofuranyl)ethyl]-4-piperidinyl]methyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[[4-hydroxy-1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[[4-hydroxy-1-[2-(7-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=CC=C3OC)O)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=COC3=C2C=CC=C3OC)O)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

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