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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-fluoranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-benzamide Formula: C20H19ClF4N2O3S MolecularWeight: 478.888073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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