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

Systemtic Name: 6-(3-chloranyl-3-phenyl-prop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Openeye Name: 6-(3-chloro-3-phenyl-prop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one CAS Name: 6-(3-chloro-3-phenylprop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-quinolinone IUPAC Name: 6-(3-chloro-3-phenylprop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Traditional Name: 6-(3-chloro-3-phenyl-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#CC(C3=CC=CC=C3)Cl)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClNO3S/c1-29-18-22(16-19-8-12-23(13-9-19)33(2,31)32)27(30)24-17-20(11-15-26(24)29)10-14-25(28)21-6-4-3-5-7-21/h3-9,11-13,15,17-18,25H,16H2,1-2H3