[4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)methanone

Systemtic Name: [4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)methanone Openeye Name: [4-(2-fluoro-4-methylsulfonyl-phenyl)piperazin-1-yl]-(2-morpholino-5-nitro-phenyl)methanone CAS Name: [4-(2-fluoro-4-methylsulfonylphenyl)-1-piperazinyl]-[2-(4-morpholinyl)-5-nitrophenyl]methanone IUPAC Name: [4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: [4-(2-fluoro-4-mesyl-phenyl)piperazino]-(2-morpholino-5-nitro-phenyl)methanone Formula: C22H25FN4O6S MolecularWeight: 492.520503

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)F

InChI

InChI=1S/C22H25FN4O6S/c1-34(31,32)17-3-5-21(19(23)15-17)24-6-8-26(9-7-24)22(28)18-14-16(27(29)30)2-4-20(18)25-10-12-33-13-11-25/h2-5,14-15H,6-13H2,1H3