6-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-8-methylsulfonyl-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-8-methylsulfonyl-quinoline-3-carbonitrile Openeye Name: 6-amino-4-(3-chloro-4-fluoro-anilino)-8-methylsulfonyl-quinoline-3-carbonitrile CAS Name: 6-amino-4-(3-chloro-4-fluoroanilino)-8-methylsulfonyl-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-(3-chloro-4-fluoroanilino)-8-methylsulfonylquinoline-3-carbonitrile Traditional Name: 6-amino-4-(3-chloro-4-fluoro-anilino)-8-mesyl-quinoline-3-carbonitrile Formula: C17H12ClFN4O2S MolecularWeight: 390.819183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=CC(=C1)N)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=C2C(=CC(=C1)N)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H12ClFN4O2S/c1-26(24,25)15-5-10(21)4-12-16(9(7-20)8-22-17(12)15)23-11-2-3-14(19)13(18)6-11/h2-6,8H,21H2,1H3,(H,22,23)