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

Systemtic Name: (2-chlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-chlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-chlorobenzyl) ester Formula: C23H20ClNO4S MolecularWeight: 441.9272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C23H20ClNO4S/c24-22-11-4-3-8-20(22)16-29-23(26)18-9-5-10-21(14-18)30(27,28)25-13-12-17-6-1-2-7-19(17)15-25/h1-11,14H,12-13,15-16H2