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

Systemtic Name: [4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(3-fluorobenzyl)sulfonyl-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H21FN3O5S+ MolecularWeight: 422.450543

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O5S/c1-21-7-9-22(10-8-21)19(24)15-5-6-18(17(12-15)23(25)26)29(27,28)13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-10,13H2,1H3/p+1