6-(3-methoxyphenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-quinolin-4-one

Systemtic Name: 6-(3-methoxyphenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-quinolin-4-one Openeye Name: 6-(3-methoxyphenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-quinolin-4-one CAS Name: 6-(3-methoxyphenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-4-quinolinone IUPAC Name: 6-(3-methoxyphenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynylquinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-(3-methoxyphenyl)-1-methyl-2-prop-1-ynyl-4-quinolone Formula: C28H25NO4S MolecularWeight: 471.5674

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C(=O)C2=C(N1C)C=CC(=C2)C3=CC(=CC=C3)OC)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC#CC1=C(C(=O)C2=C(N1C)C=CC(=C2)C3=CC(=CC=C3)OC)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H25NO4S/c1-5-7-26-24(16-19-10-13-23(14-11-19)34(4,31)32)28(30)25-18-21(12-15-27(25)29(26)2)20-8-6-9-22(17-20)33-3/h6,8-15,17-18H,16H2,1-4H3