4-[[3,4-bis(fluoranyl)phenyl]amino]-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide

Systemtic Name: 4-[[3,4-bis(fluoranyl)phenyl]amino]-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide Openeye Name: 4-(3,4-difluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide CAS Name: 4-(3,4-difluoroanilino)-7-(4-methylsulfonylphenyl)-3-quinolinecarboxamide IUPAC Name: 4-(3,4-difluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide Traditional Name: 4-(3,4-difluoroanilino)-7-(4-mesylphenyl)quinoline-3-carboxamide Formula: C23H17F2N3O3S MolecularWeight: 453.461186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=C(C=C4)F)F)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=C(C=C4)F)F)C(=O)N

InChI

InChI=1S/C23H17F2N3O3S/c1-32(30,31)16-6-2-13(3-7-16)14-4-8-17-21(10-14)27-12-18(23(26)29)22(17)28-15-5-9-19(24)20(25)11-15/h2-12H,1H3,(H2,26,29)(H,27,28)