ethyl 6-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 6-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 6-[[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]methyl-methylsulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl-methylsulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]methyl-methyl-sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C29H37N3O5S MolecularWeight: 539.68618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N(C)CC3CCN(CC3)CCC4=COC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N(C)CC3CCN(CC3)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C29H37N3O5S/c1-3-36-29(33)32-17-13-23-18-26(9-8-24(23)20-32)38(34,35)30(2)19-22-10-14-31(15-11-22)16-12-25-21-37-28-7-5-4-6-27(25)28/h4-9,18,21-22H,3,10-17,19-20H2,1-2H3