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

Systemtic Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Openeye Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one CAS Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-quinolinone IUPAC Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Traditional Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-3-(4-mesylbenzyl)-1-methyl-4-quinolone Formula: C27H22ClNO3S MolecularWeight: 475.98648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H22ClNO3S/c1-29-18-22(16-21-8-13-24(14-9-21)33(2,31)32)27(30)25-17-20(10-15-26(25)29)5-3-4-19-6-11-23(28)12-7-19/h6-15,17-18H,4,16H2,1-2H3