N-methyl-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide

Systemtic Name: N-methyl-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-methyl-N-[1-(tetrahydropyran-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide CAS Name: N-methyl-N-[1-(4-oxanylmethyl)-2-(trifluoromethyl)-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-methyl-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide Traditional Name: N-methyl-N-[1-(tetrahydropyran-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide Formula: C21H22F3N3O3S MolecularWeight: 453.47789

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)CC3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)CC3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22F3N3O3S/c1-26(31(28,29)17-5-3-2-4-6-17)16-7-8-19-18(13-16)25-20(21(22,23)24)27(19)14-15-9-11-30-12-10-15/h2-8,13,15H,9-12,14H2,1H3