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

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C19H20F3N3O4S MolecularWeight: 443.44001

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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)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)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C19H20F3N3O4S/c1-13-3-6-18(14(2)11-13)30(28,29)24-9-7-23(8-10-24)16-5-4-15(19(20,21)22)12-17(16)25(26)27/h3-6,11-12H,7-10H2,1-2H3