N-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidin-4-amine

Systemtic Name: N-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidin-4-amine Openeye Name: N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidin-4-amine CAS Name: N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-4-piperidinamine IUPAC Name: N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-methylsulfonylpiperidin-4-amine Traditional Name: [5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-(1-mesyl-4-piperidyl)amine Formula: C13H15ClF3N3O4S MolecularWeight: 401.78911

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClF3N3O4S/c1-25(23,24)19-4-2-8(3-5-19)18-11-7-10(14)9(13(15,16)17)6-12(11)20(21)22/h6-8,18H,2-5H2,1H3