[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone

Systemtic Name: [4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone Openeye Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-(2,6-dimethyl-3-quinolyl)methanone CAS Name: [4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-(2,6-dimethyl-3-quinolinyl)methanone IUPAC Name: [4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone Traditional Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-(2,6-dimethyl-3-quinolyl)methanone Formula: C22H21ClFN3O3S MolecularWeight: 461.936843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O3S/c1-14-3-6-21-16(11-14)12-18(15(2)25-21)22(28)26-7-9-27(10-8-26)31(29,30)17-4-5-20(24)19(23)13-17/h3-6,11-13H,7-10H2,1-2H3