(3R)-1-(4-methylsulfonyl-2-nitro-phenyl)-3-(trifluoromethyl)piperidine

Systemtic Name: (3R)-1-(4-methylsulfonyl-2-nitro-phenyl)-3-(trifluoromethyl)piperidine Openeye Name: (3R)-1-(4-methylsulfonyl-2-nitro-phenyl)-3-(trifluoromethyl)piperidine CAS Name: (3R)-1-(4-methylsulfonyl-2-nitrophenyl)-3-(trifluoromethyl)piperidine IUPAC Name: (3R)-1-(4-methylsulfonyl-2-nitrophenyl)-3-(trifluoromethyl)piperidine Traditional Name: (3R)-1-(4-mesyl-2-nitro-phenyl)-3-(trifluoromethyl)piperidine Formula: C13H15F3N2O4S MolecularWeight: 352.32941

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@H](C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N2O4S/c1-23(21,22)10-4-5-11(12(7-10)18(19)20)17-6-2-3-9(8-17)13(14,15)16/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m1/s1