N-[1-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[1-[4-(methylthio)phenyl]ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[1-[4-(methylthio)phenyl]ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O3S2/c1-14(15-6-9-18(26-2)10-7-15)21-20(23)17-8-11-19-16(13-17)5-4-12-22(19)27(3,24)25/h6-11,13-14H,4-5,12H2,1-3H3,(H,21,23)