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

Systemtic Name: N-methyl-N-[[4-oxidanyl-1-[2-(5-oxidanyl-1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[4-hydroxy-1-[2-(5-hydroxybenzofuran-3-yl)ethyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[[4-hydroxy-1-[2-(5-hydroxy-3-benzofuranyl)ethyl]-4-piperidinyl]methyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[[4-hydroxy-1-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[[4-hydroxy-1-[2-(5-hydroxybenzofuran-3-yl)ethyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O5S/c1-28(35(32,33)25-4-2-3-19-16-27-11-7-22(19)25)18-26(31)9-13-29(14-10-26)12-8-20-17-34-24-6-5-21(30)15-23(20)24/h2-7,11,15-17,30-31H,8-10,12-14,18H2,1H3