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

Systemtic Name: N-[1-[2-(1-benzofuran-3-yl)-2-oxidanyl-ethyl]piperidin-4-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[2-(benzofuran-3-yl)-2-hydroxy-ethyl]-4-piperidyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[2-(3-benzofuranyl)-2-hydroxyethyl]-4-piperidinyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[2-(1-benzofuran-3-yl)-2-hydroxyethyl]piperidin-4-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[2-(benzofuran-3-yl)-2-hydroxy-ethyl]-4-piperidyl]isoquinoline-5-sulfonamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC(C4=COC5=CC=CC=C54)O

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC(C4=COC5=CC=CC=C54)O

InChI

InChI=1S/C24H25N3O4S/c28-22(21-16-31-23-6-2-1-5-20(21)23)15-27-12-9-18(10-13-27)26-32(29,30)24-7-3-4-17-14-25-11-8-19(17)24/h1-8,11,14,16,18,22,26,28H,9-10,12-13,15H2