[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(2-methylquinolin-4-yl)methanone

Systemtic Name: [4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-(2-methyl-4-quinolyl)methanone CAS Name: [4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-(2-methyl-4-quinolyl)methanone Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN3O3S/c1-14-12-17(16-4-2-3-5-20(16)24-14)21(27)25-8-10-26(11-9-25)30(28,29)15-6-7-19(23)18(22)13-15/h2-7,12-13H,8-11H2,1H3