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

Systemtic Name: (4-cyanophenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (4-cyanophenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-cyanophenyl) ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O4S/c24-15-17-5-9-21(10-6-17)29-23(26)19-7-11-22(12-8-19)30(27,28)25-14-13-18-3-1-2-4-20(18)16-25/h1-12H,13-14,16H2