(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-p-phenetylsulfonyl-N-[2-(trifluoromethyl)phenyl]nipecotamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N2O4S/c1-2-30-16-9-11-17(12-10-16)31(28,29)26-13-5-6-15(14-26)20(27)25-19-8-4-3-7-18(19)21(22,23)24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,25,27)/t15-/m0/s1