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

Systemtic Name: propan-2-yl 5-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C30H39N3O5S MolecularWeight: 553.71276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC2=C(C1)C=CC=C2S(=O)(=O)N(C)CC3CCN(CC3)CCC4=COC5=CC=CC=C54

Isomeric SMILES

CC(C)OC(=O)N1CCC2=C(C1)C=CC=C2S(=O)(=O)N(C)CC3CCN(CC3)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C30H39N3O5S/c1-22(2)38-30(34)33-18-14-27-24(20-33)7-6-10-29(27)39(35,36)31(3)19-23-11-15-32(16-12-23)17-13-25-21-37-28-9-5-4-8-26(25)28/h4-10,21-23H,11-20H2,1-3H3