N-(3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C19H21F3N4O3S2 MolecularWeight: 474.52025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O3S2/c1-13(30-18-23-9-8-16(25-18)19(20,21)22)17(27)24-14-6-5-7-15(12-14)31(28,29)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,27)