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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC2=C1C=CC=C2S(=O)(=O)NC3CCN(CC3)CCC4=COC5=CC=CC=C54

Isomeric SMILES

COC1=NC=CC2=C1C=CC=C2S(=O)(=O)NC3CCN(CC3)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O4S/c1-31-25-22-6-4-8-24(21(22)9-13-26-25)33(29,30)27-19-11-15-28(16-12-19)14-10-18-17-32-23-7-3-2-5-20(18)23/h2-9,13,17,19,27H,10-12,14-16H2,1H3