3-[2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethylsulfonyl]propanamide

Systemtic Name: 3-[2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethylsulfonyl]propanamide Openeye Name: 3-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethylsulfonyl]propanamide CAS Name: 3-[2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethylsulfonyl]propanamide Traditional Name: 3-[2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]ethylsulfonyl]propionamide Formula: C20H20F3N3O3S2 MolecularWeight: 471.51631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCCS(=O)(=O)CCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C20H20F3N3O3S2/c21-20(22,23)15-6-7-17-16(12-15)25-19(26(17)13-14-4-2-1-3-5-14)30-9-11-31(28,29)10-8-18(24)27/h1-7,12H,8-11,13H2,(H2,24,27)