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

Systemtic Name: [1-[(3-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-[(3-chlorophenyl)methylsulfonyl]-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-[(3-chlorophenyl)methylsulfonyl]-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-[(3-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-(3-chlorobenzyl)sulfonyl-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H25ClN2O3S MolecularWeight: 432.9635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H25ClN2O3S/c23-21-7-3-4-17(14-21)16-29(27,28)25-12-9-19(10-13-25)22(26)24-11-8-18-5-1-2-6-20(18)15-24/h1-7,14,19H,8-13,15-16H2