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

Systemtic Name: (4-chlorophenyl)methyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (4-chlorophenyl)methyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-chlorobenzyl) 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=C(C=CC(=C3)C(=O)OCC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

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