1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine Openeye Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine CAS Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)sulfonylpiperazine Traditional Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine Formula: C19H19ClF3N3O4S MolecularWeight: 477.88507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClF3N3O4S/c1-12-3-4-18(13(2)9-12)31(29,30)25-7-5-24(6-8-25)16-11-15(20)14(19(21,22)23)10-17(16)26(27)28/h3-4,9-11H,5-8H2,1-2H3