N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(4-mesyl-2-nitro-phenyl)amine Formula: C23H19FN4O4S MolecularWeight: 466.484763

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19FN4O4S/c1-33(31,32)20-11-12-21(22(13-20)28(29)30)25-14-17-15-27(19-5-3-2-4-6-19)26-23(17)16-7-9-18(24)10-8-16/h2-13,15,25H,14H2,1H3