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

Systemtic Name: 3-[(4-methoxy-1-benzofuran-3-yl)methyl]-1-piperidin-4-yl-isoquinoline-5-sulfonamide Openeye Name: 3-[(4-methoxybenzofuran-3-yl)methyl]-1-(4-piperidyl)isoquinoline-5-sulfonamide CAS Name: 3-[(4-methoxy-3-benzofuranyl)methyl]-1-(4-piperidinyl)-5-isoquinolinesulfonamide IUPAC Name: 3-[(4-methoxy-1-benzofuran-3-yl)methyl]-1-piperidin-4-ylisoquinoline-5-sulfonamide Traditional Name: 3-[(4-methoxybenzofuran-3-yl)methyl]-1-(4-piperidyl)isoquinoline-5-sulfonamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CO2)CC3=NC(=C4C=CC=C(C4=C3)S(=O)(=O)N)C5CCNCC5

Isomeric SMILES

COC1=CC=CC2=C1C(=CO2)CC3=NC(=C4C=CC=C(C4=C3)S(=O)(=O)N)C5CCNCC5

InChI

InChI=1S/C24H25N3O4S/c1-30-20-5-3-6-21-23(20)16(14-31-21)12-17-13-19-18(4-2-7-22(19)32(25,28)29)24(27-17)15-8-10-26-11-9-15/h2-7,13-15,26H,8-12H2,1H3,(H2,25,28,29)