N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetamide Formula: C20H22F3N3O4S MolecularWeight: 457.46659

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=C(C=CC3=O)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=C(C=CC3=O)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O4S/c21-20(22,23)15-8-9-19(28)25(13-15)14-18(27)24-16-6-5-7-17(12-16)31(29,30)26-10-3-1-2-4-11-26/h5-9,12-13H,1-4,10-11,14H2,(H,24,27)