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

Systemtic Name: N-[1-[3-(1-benzofuran-3-yl)-2-oxidanyl-propyl]piperidin-4-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[3-(benzofuran-3-yl)-2-hydroxy-propyl]-4-piperidyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[3-(3-benzofuranyl)-2-hydroxypropyl]-4-piperidinyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[3-(1-benzofuran-3-yl)-2-hydroxypropyl]piperidin-4-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[3-(benzofuran-3-yl)-2-hydroxy-propyl]-4-piperidyl]isoquinoline-5-sulfonamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC(CC4=COC5=CC=CC=C54)O

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC(CC4=COC5=CC=CC=C54)O

InChI

InChI=1S/C25H27N3O4S/c29-21(14-19-17-32-24-6-2-1-5-22(19)24)16-28-12-9-20(10-13-28)27-33(30,31)25-7-3-4-18-15-26-11-8-23(18)25/h1-8,11,15,17,20-21,27,29H,9-10,12-14,16H2