3-(azepan-1-ylcarbonyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-benzenesulfonamide Formula: C21H22ClF3N2O4S MolecularWeight: 490.92359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H22ClF3N2O4S/c1-31-19-9-7-15(13-16(19)20(28)27-10-4-2-3-5-11-27)32(29,30)26-18-12-14(21(23,24)25)6-8-17(18)22/h6-9,12-13,26H,2-5,10-11H2,1H3