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

Systemtic Name: 6-(3-methoxy-3-phenyl-prop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Openeye Name: 6-(3-methoxy-3-phenyl-prop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one CAS Name: 6-(3-methoxy-3-phenylprop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-quinolinone IUPAC Name: 6-(3-methoxy-3-phenylprop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-(3-methoxy-3-phenyl-prop-1-ynyl)-1-methyl-4-quinolone Formula: C28H25NO4S MolecularWeight: 471.5674

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H25NO4S/c1-29-19-23(17-20-9-13-24(14-10-20)34(3,31)32)28(30)25-18-21(11-15-26(25)29)12-16-27(33-2)22-7-5-4-6-8-22/h4-11,13-15,18-19,27H,17H2,1-3H3