(3S)-3-methyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine

Systemtic Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine Openeye Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine CAS Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine IUPAC Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine Traditional Name: (3S)-3-methyl-1-(2-nitro-4-triflyl-phenyl)piperidine Formula: C13H15F3N2O4S MolecularWeight: 352.32941

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N2O4S/c1-9-3-2-6-17(8-9)11-5-4-10(7-12(11)18(19)20)23(21,22)13(14,15)16/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1