[6-bromanyl-2-methyl-4-(4-methylsulfonylphenyl)quinolin-3-yl]-cyclopropyl-methanone

Systemtic Name: [6-bromanyl-2-methyl-4-(4-methylsulfonylphenyl)quinolin-3-yl]-cyclopropyl-methanone Openeye Name: [6-bromo-2-methyl-4-(4-methylsulfonylphenyl)-3-quinolyl]-cyclopropyl-methanone CAS Name: [6-bromo-2-methyl-4-(4-methylsulfonylphenyl)-3-quinolinyl]-cyclopropylmethanone IUPAC Name: [6-bromo-2-methyl-4-(4-methylsulfonylphenyl)quinolin-3-yl]-cyclopropylmethanone Traditional Name: [6-bromo-4-(4-mesylphenyl)-2-methyl-3-quinolyl]-cyclopropyl-methanone Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)C4CC4

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)C4CC4

InChI

InChI=1S/C21H18BrNO3S/c1-12-19(21(24)14-3-4-14)20(17-11-15(22)7-10-18(17)23-12)13-5-8-16(9-6-13)27(2,25)26/h5-11,14H,3-4H2,1-2H3