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

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-3-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C19H20F3N3O3S2 MolecularWeight: 459.50561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3S2/c20-19(21,22)14-6-7-18(23-13-14)29-11-8-17(26)24-15-4-3-5-16(12-15)30(27,28)25-9-1-2-10-25/h3-7,12-13H,1-2,8-11H2,(H,24,26)