methyl 2-(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: methyl 2-(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: methyl 2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-piperidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-piperidinosulfonyl-benzoic acid methyl ester Formula: C24H30N2O7S MolecularWeight: 490.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=O)OC

Isomeric SMILES

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=O)OC

InChI

InChI=1S/C24H30N2O7S/c1-31-21-9-10-22(32-2)23-18(21)14-25(15-20(23)27)19-8-7-16(13-17(19)24(28)33-3)34(29,30)26-11-5-4-6-12-26/h7-10,13,20,27H,4-6,11-12,14-15H2,1-3H3