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

Systemtic Name: (3-bromophenyl)methyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (3-bromophenyl)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 (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)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 (3-bromobenzyl) ester Formula: C23H19BrClNO4S MolecularWeight: 520.82326

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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(=CC=C4)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrClNO4S/c24-20-7-3-4-16(12-20)15-30-23(27)18-8-9-21(25)22(13-18)31(28,29)26-11-10-17-5-1-2-6-19(17)14-26/h1-9,12-13H,10-11,14-15H2