N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(trifluoromethyl)benzenesulfonamide Formula: C20H23F3N2O5S2 MolecularWeight: 492.53223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H23F3N2O5S2/c1-30-18-11-10-15(32(28,29)25-12-6-2-3-7-13-25)14-17(18)24-31(26,27)19-9-5-4-8-16(19)20(21,22)23/h4-5,8-11,14,24H,2-3,6-7,12-13H2,1H3