1-methyl-6-(3-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one

Systemtic Name: 1-methyl-6-(3-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(m-tolyl)-2-prop-1-ynyl-2,3-dihydroquinolin-4-one CAS Name: 1-methyl-6-(3-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one IUPAC Name: 1-methyl-6-(3-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-(m-tolyl)-2-prop-1-ynyl-2,3-dihydroquinolin-4-one Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1C(C(=O)C2=C(N1C)C=CC(=C2)C3=CC(=CC=C3)C)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC#CC1C(C(=O)C2=C(N1C)C=CC(=C2)C3=CC(=CC=C3)C)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H27NO3S/c1-5-7-26-24(17-20-10-13-23(14-11-20)33(4,31)32)28(30)25-18-22(12-15-27(25)29(26)3)21-9-6-8-19(2)16-21/h6,8-16,18,24,26H,17H2,1-4H3