1-[4-[4-[4-(4-fluorophenyl)sulfanyl-3-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[4-(4-fluorophenyl)sulfanyl-3-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[4-(4-fluorophenyl)sulfanyl-3-nitro-benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[4-[(4-fluorophenyl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[4-(4-fluorophenyl)sulfanyl-3-nitrobenzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[4-[(4-fluorophenyl)thio]-3-nitro-benzoyl]piperazino]phenyl]ethanone Formula: C25H22FN3O4S MolecularWeight: 479.523283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C25H22FN3O4S/c1-17(30)18-2-7-21(8-3-18)27-12-14-28(15-13-27)25(31)19-4-11-24(23(16-19)29(32)33)34-22-9-5-20(26)6-10-22/h2-11,16H,12-15H2,1H3