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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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