2-[(4-chlorophenyl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(4-chlorophenyl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(4-chlorophenyl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(4-chlorophenyl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(4-chlorophenyl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-chlorobenzyl)sulfonyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C18H18ClNO3S MolecularWeight: 363.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO3S/c19-17-7-5-14(6-8-17)12-24(22,23)13-18(21)20-10-9-15-3-1-2-4-16(15)11-20/h1-8H,9-13H2