1-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[4-chloro-N-mesyl-3-(trifluoromethyl)anilino]acetyl]isonipecotamide Formula: C16H19ClF3N3O4S MolecularWeight: 441.85297

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)N)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)N)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H19ClF3N3O4S/c1-28(26,27)23(11-2-3-13(17)12(8-11)16(18,19)20)9-14(24)22-6-4-10(5-7-22)15(21)25/h2-3,8,10H,4-7,9H2,1H3,(H2,21,25)