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

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(3-fluoro-4-methoxy-phenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C18H17F4N3O5S MolecularWeight: 463.403293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])F

InChI

InChI=1S/C18H17F4N3O5S/c1-30-17-5-3-13(11-14(17)19)31(28,29)24-8-6-23(7-9-24)15-4-2-12(18(20,21)22)10-16(15)25(26)27/h2-5,10-11H,6-9H2,1H3