1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-tosyl-piperazine Formula: C18H17F3N4O6S MolecularWeight: 474.41099

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

InChI

InChI=1S/C18H17F3N4O6S/c1-12-2-4-14(5-3-12)32(30,31)23-8-6-22(7-9-23)17-15(24(26)27)10-13(18(19,20)21)11-16(17)25(28)29/h2-5,10-11H,6-9H2,1H3