N-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C21H22ClF3N2O5S MolecularWeight: 506.92299

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)OC

InChI

InChI=1S/C21H22ClF3N2O5S/c1-31-18-6-4-15(12-19(18)32-2)33(29,30)27-9-7-13(8-10-27)20(28)26-14-3-5-17(22)16(11-14)21(23,24)25/h3-6,11-13H,7-10H2,1-2H3,(H,26,28)