(7-fluoranyl-2-methyl-quinolin-3-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (7-fluoranyl-2-methyl-quinolin-3-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (7-fluoro-2-methyl-3-quinolyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (7-fluoro-2-methyl-3-quinolinyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (7-fluoro-2-methylquinolin-3-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (7-fluoro-2-methyl-3-quinolyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C22H21FN4O5S MolecularWeight: 472.489343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN4O5S/c1-14-18(11-15-3-4-16(23)12-19(15)24-14)22(28)26-9-7-25(8-10-26)20-6-5-17(33(2,31)32)13-21(20)27(29)30/h3-6,11-13H,7-10H2,1-2H3