5-[2-(2-chlorophenyl)ethyl-methyl-amino]-1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentan-1-one

Systemtic Name: 5-[2-(2-chlorophenyl)ethyl-methyl-amino]-1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentan-1-one Openeye Name: 5-[2-(2-chlorophenyl)ethyl-methyl-amino]-1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentan-1-one CAS Name: 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-pentanone IUPAC Name: 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentan-1-one Traditional Name: 5-[2-(2-chlorophenyl)ethyl-methyl-amino]-1-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)pentan-1-one Formula: C24H31ClN2O3S MolecularWeight: 463.03254

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)C1=CC2=C(CCN(C2)S(=O)(=O)C)C=C1)CCC3=CC=CC=C3Cl

Isomeric SMILES

CN(CCCCC(=O)C1=CC2=C(CCN(C2)S(=O)(=O)C)C=C1)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H31ClN2O3S/c1-26(15-12-20-7-3-4-8-23(20)25)14-6-5-9-24(28)21-11-10-19-13-16-27(31(2,29)30)18-22(19)17-21/h3-4,7-8,10-11,17H,5-6,9,12-16,18H2,1-2H3