N-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide

Systemtic Name: N-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Openeye Name: N-[[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]methyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide CAS Name: N-[[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]methyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide IUPAC Name: N-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Traditional Name: N-[[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]methyl]-2-mesyl-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Formula: C27H35N3O5S2 MolecularWeight: 545.7139

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)CCC2=COC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=C4CCN(C5)S(=O)(=O)C

Isomeric SMILES

CN(CC1CCN(CC1)CCC2=COC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=C4CCN(C5)S(=O)(=O)C

InChI

InChI=1S/C27H35N3O5S2/c1-28(37(33,34)27-9-5-6-22-19-30(36(2,31)32)17-13-25(22)27)18-21-10-14-29(15-11-21)16-12-23-20-35-26-8-4-3-7-24(23)26/h3-9,20-21H,10-19H2,1-2H3