2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-piperidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-piperidin-1-ylsulfonyl-pyridine Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(1-piperidylsulfonyl)pyridine CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(1-piperidinylsulfonyl)pyridine IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-piperidin-1-ylsulfonylpyridine Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-piperidinosulfonyl-pyridine Formula: C17H16F3N3O4S2 MolecularWeight: 447.45185

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N3O4S2/c18-17(19,20)12-4-6-15(14(10-12)23(24)25)28-16-7-5-13(11-21-16)29(26,27)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2