1-[2-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]propan-1-one

Systemtic Name: 1-[2-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]propan-1-one Openeye Name: 1-[2-(4-dimethylaminophenyl)-3-(p-tolylsulfonyl)-2H-benzimidazol-1-yl]propan-1-one CAS Name: 1-[2-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]-1-propanone IUPAC Name: 1-[2-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]propan-1-one Traditional Name: 1-[2-(4-dimethylaminophenyl)-3-tosyl-2H-benzimidazol-1-yl]propan-1-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCC(=O)N1C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H27N3O3S/c1-5-24(29)27-22-8-6-7-9-23(22)28(32(30,31)21-16-10-18(2)11-17-21)25(27)19-12-14-20(15-13-19)26(3)4/h6-17,25H,5H2,1-4H3