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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-tosyl-piperazine Formula: C18H18F3N3O4S MolecularWeight: 429.41343

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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-]

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-]

InChI

InChI=1S/C18H18F3N3O4S/c1-13-2-5-15(6-3-13)29(27,28)23-10-8-22(9-11-23)16-7-4-14(18(19,20)21)12-17(16)24(25)26/h2-7,12H,8-11H2,1H3