(2S)-N-(3-piperidin-1-ylsulfonylphenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-piperidin-1-ylsulfonylphenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-[3-(1-piperidylsulfonyl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(3-piperidin-1-ylsulfonylphenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(3-piperidinosulfonylphenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C20H22F3N3O3S2 MolecularWeight: 473.53219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S2/c1-14(30-18-9-8-15(13-24-18)20(21,22)23)19(27)25-16-6-5-7-17(12-16)31(28,29)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11H2,1H3,(H,25,27)/t14-/m0/s1