[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitro-phenyl)methanone Openeye Name: [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitro-phenyl)methanone CAS Name: [4-(4-fluorophenyl)-1-piperazinyl]-(4-methylsulfonyl-3-nitrophenyl)methanone IUPAC Name: [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitrophenyl)methanone Traditional Name: [4-(4-fluorophenyl)piperazino]-(4-mesyl-3-nitro-phenyl)methanone Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O5S/c1-28(26,27)17-7-2-13(12-16(17)22(24)25)18(23)21-10-8-20(9-11-21)15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3