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

Systemtic Name: (2,4-dichlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2,4-dichlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2,4-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=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

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