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

Systemtic Name: N-methyl-4-nitro-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-methyl-4-nitro-N-[1-(tetrahydropyran-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide CAS Name: N-methyl-4-nitro-N-[1-(4-oxanylmethyl)-2-(trifluoromethyl)-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-methyl-4-nitro-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide Traditional Name: N-methyl-4-nitro-N-[1-(tetrahydropyran-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]benzenesulfonamide Formula: C21H21F3N4O5S MolecularWeight: 498.47545

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)CC3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N4O5S/c1-26(34(31,32)17-5-2-15(3-6-17)28(29)30)16-4-7-19-18(12-16)25-20(21(22,23)24)27(19)13-14-8-10-33-11-9-14/h2-7,12,14H,8-11,13H2,1H3