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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-fluoranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-fluoro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-fluorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-fluorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-fluoro-benzamide Formula: C20H19ClF4N2O3S MolecularWeight: 478.888073

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H19ClF4N2O3S/c21-13-5-8-18(16(11-13)20(23,24)25)26-19(28)15-12-14(6-7-17(15)22)31(29,30)27-9-3-1-2-4-10-27/h5-8,11-12H,1-4,9-10H2,(H,26,28)