1-(4-methylsulfonyl-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C18H18F3N3O4S MolecularWeight: 429.41343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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