(4-methyl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5S/c1-13-5-6-14(11-17(13)25(27)28)18(26)23-7-9-24(10-8-23)31(29,30)16-4-2-3-15(12-16)19(20,21)22/h2-6,11-12H,7-10H2,1H3