N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C18H20ClF3N4O3S2 MolecularWeight: 496.95461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H20ClF3N4O3S2/c19-14-9-13(18(20,21)22)10-25-16(14)23-5-6-24-17(27)12-3-1-7-26(11-12)31(28,29)15-4-2-8-30-15/h2,4,8-10,12H,1,3,5-7,11H2,(H,23,25)(H,24,27)