[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-[3-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-[3-(trifluoromethyl)phenyl]methanone Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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