N-[1-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]piperidin-4-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]piperidin-4-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[2-(6-methoxybenzofuran-3-yl)ethyl]-4-piperidyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[2-(6-methoxy-3-benzofuranyl)ethyl]-4-piperidinyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]piperidin-4-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[2-(6-methoxybenzofuran-3-yl)ethyl]-4-piperidyl]isoquinoline-5-sulfonamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CCN3CCC(CC3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CCN3CCC(CC3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

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