1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one

Systemtic Name: 1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-[3-(p-tolyl)prop-1-ynyl]quinolin-4-one CAS Name: 1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]-4-quinolinone IUPAC Name: 1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-[3-(p-tolyl)prop-1-ynyl]-4-quinolone Formula: C28H25NO3S MolecularWeight: 455.568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N(C=C(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N(C=C(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C28H25NO3S/c1-20-7-9-21(10-8-20)5-4-6-22-13-16-27-26(18-22)28(30)24(19-29(27)2)17-23-11-14-25(15-12-23)33(3,31)32/h7-16,18-19H,5,17H2,1-3H3