2-[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(7-fluoro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H19FN4O3S MolecularWeight: 438.474663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H19FN4O3S/c1-15-19(12-16-6-7-18(23)13-20(16)25-15)22(28)26-8-10-27(11-9-26)31(29,30)21-5-3-2-4-17(21)14-24/h2-7,12-13H,8-11H2,1H3