(3,4-dichlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (3,4-dichlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (3,4-dichlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (3,4-dichlorobenzyl) ester Formula: C23H19Cl2NO4S MolecularWeight: 476.37226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H19Cl2NO4S/c24-21-9-8-16(12-22(21)25)15-30-23(27)18-6-3-7-20(13-18)31(28,29)26-11-10-17-4-1-2-5-19(17)14-26/h1-9,12-13H,10-11,14-15H2