2-[(2-methylphenyl)methylsulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Openeye Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(o-tolylmethylsulfanyl)ethanone CAS Name: 2-[(2-methylphenyl)methylthio]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Traditional Name: 1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(2-methylbenzyl)thio]ethanone Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C20H23NO3S2/c1-15-6-3-4-7-18(15)13-25-14-20(22)17-9-10-19-16(12-17)8-5-11-21(19)26(2,23)24/h3-4,6-7,9-10,12H,5,8,11,13-14H2,1-2H3