4-(azepan-1-ylsulfonyl)-N-[2-oxidanylidene-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-oxidanylidene-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-keto-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide Formula: C19H20F3N3O4S MolecularWeight: 443.44001

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CNC3=O)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CNC3=O)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O4S/c20-19(21,22)14-11-16(18(27)23-12-14)24-17(26)13-5-7-15(8-6-13)30(28,29)25-9-3-1-2-4-10-25/h5-8,11-12H,1-4,9-10H2,(H,23,27)(H,24,26)