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

Systemtic Name: (4-chlorophenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (4-chlorophenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-chlorophenyl) ester Formula: C22H18ClNO4S MolecularWeight: 427.90062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClNO4S/c23-19-7-9-20(10-8-19)28-22(25)17-5-11-21(12-6-17)29(26,27)24-14-13-16-3-1-2-4-18(16)15-24/h1-12H,13-15H2