3-(azepan-1-ylsulfonyl)-4-fluoranyl-N-[2-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-fluoranyl-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C20H20F4N2O3S MolecularWeight: 444.443013

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(F)(F)F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(F)(F)F)F

InChI

InChI=1S/C20H20F4N2O3S/c21-16-10-9-14(13-18(16)30(28,29)26-11-5-1-2-6-12-26)19(27)25-17-8-4-3-7-15(17)20(22,23)24/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,25,27)