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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=C2CCN3CCC(CC3)(CNS(=O)(=O)C4=CC=CC5=C4C=CN=C5)O

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C2CCN3CCC(CC3)(CNS(=O)(=O)C4=CC=CC5=C4C=CN=C5)O

InChI

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