N-(5-chloranylpyridin-2-yl)-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-1-(2-nitro-4-triflyl-phenyl)nipecotamide Formula: C18H16ClF3N4O5S MolecularWeight: 492.85665

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClF3N4O5S/c19-12-3-6-16(23-9-12)24-17(27)11-2-1-7-25(10-11)14-5-4-13(8-15(14)26(28)29)32(30,31)18(20,21)22/h3-6,8-9,11H,1-2,7,10H2,(H,23,24,27)