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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO3S/c1-20(23-7-5-4-6-8-23)9-10-22-13-16-27-26(18-22)28(30)24(19-29(27)2)17-21-11-14-25(15-12-21)33(3,31)32/h4-8,11-16,18-20H,17H2,1-3H3