(3-chlorophenyl)methyl 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (3-chlorophenyl)methyl 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (3-chlorophenyl)methyl 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid (3-chlorobenzyl) ester Formula: C24H22ClNO4S MolecularWeight: 455.95378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22ClNO4S/c25-20-9-6-7-18(15-20)17-30-24(27)16-23-22-12-5-4-8-19(22)13-14-26(23)31(28,29)21-10-2-1-3-11-21/h1-12,15,23H,13-14,16-17H2