6-(3-bromophenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one

Systemtic Name: 6-(3-bromophenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one Openeye Name: 6-(3-bromophenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one CAS Name: 6-(3-bromophenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one IUPAC Name: 6-(3-bromophenyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-prop-1-ynyl-2,3-dihydroquinolin-4-one Traditional Name: 6-(3-bromophenyl)-3-(4-mesylbenzyl)-1-methyl-2-prop-1-ynyl-2,3-dihydroquinolin-4-one Formula: C27H24BrNO3S MolecularWeight: 522.45336

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1C(C(=O)C2=C(N1C)C=CC(=C2)C3=CC(=CC=C3)Br)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC#CC1C(C(=O)C2=C(N1C)C=CC(=C2)C3=CC(=CC=C3)Br)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H24BrNO3S/c1-4-6-25-23(15-18-9-12-22(13-10-18)33(3,31)32)27(30)24-17-20(11-14-26(24)29(25)2)19-7-5-8-21(28)16-19/h5,7-14,16-17,23,25H,15H2,1-3H3