methyl 4-[[6,7-dimethoxy-2-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[6,7-dimethoxy-2-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[6,7-dimethoxy-2-[4-(1-piperidylsulfonyl)benzoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[6,7-dimethoxy-2-(4-piperidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(4-piperidinosulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C32H36N2O8S MolecularWeight: 608.70184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)COC5=CC=C(C=C5)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)COC5=CC=C(C=C5)C(=O)OC)OC

InChI

InChI=1S/C32H36N2O8S/c1-39-29-19-24-15-18-34(31(35)22-9-13-26(14-10-22)43(37,38)33-16-5-4-6-17-33)28(27(24)20-30(29)40-2)21-42-25-11-7-23(8-12-25)32(36)41-3/h7-14,19-20,28H,4-6,15-18,21H2,1-3H3