(4-chlorophenyl) 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (4-chlorophenyl) 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (4-chlorophenyl) 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-chlorophenyl) ester Formula: C22H17Cl2NO4S MolecularWeight: 462.34568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17Cl2NO4S/c23-17-5-7-18(8-6-17)29-22(26)20-13-19(9-10-21(20)24)30(27,28)25-12-11-15-3-1-2-4-16(15)14-25/h1-10,13H,11-12,14H2