methyl 5-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 5-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 5-[[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]methyl-methylsulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl-methylsulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-[[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C28H35N3O5S MolecularWeight: 525.6596

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O5S/c1-29(37(33,34)27-9-5-6-22-19-31(28(32)35-2)17-13-25(22)27)18-21-10-14-30(15-11-21)16-12-23-20-36-26-8-4-3-7-24(23)26/h3-9,20-21H,10-19H2,1-2H3