1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(4-fluoro-3-methyl-phenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(4-fluoro-3-methyl-phenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C18H17F4N3O4S MolecularWeight: 447.403893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F4N3O4S/c1-12-10-14(3-4-15(12)19)30(28,29)24-8-6-23(7-9-24)16-5-2-13(18(20,21)22)11-17(16)25(26)27/h2-5,10-11H,6-9H2,1H3