(3-fluoranyl-4-methyl-5-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (3-fluoranyl-4-methyl-5-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-fluoro-4-methyl-5-nitro-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3-fluoro-4-methyl-5-nitrophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-fluoro-4-methyl-5-nitrophenyl)methanone Traditional Name: (4-besylpiperazino)-(3-fluoro-4-methyl-5-nitro-phenyl)methanone Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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