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

Systemtic Name: 1-[2-(1H-indol-3-yl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]propan-1-one Openeye Name: 1-[2-(1H-indol-3-yl)-3-(p-tolylsulfonyl)-2H-benzimidazol-1-yl]propan-1-one CAS Name: 1-[2-(1H-indol-3-yl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]-1-propanone IUPAC Name: 1-[2-(1H-indol-3-yl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]propan-1-one Traditional Name: 1-[2-(1H-indol-3-yl)-3-tosyl-2H-benzimidazol-1-yl]propan-1-one Formula: C25H23N3O3S MolecularWeight: 445.53342

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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=CNC5=CC=CC=C54

Isomeric SMILES

CCC(=O)N1C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H23N3O3S/c1-3-24(29)27-22-10-6-7-11-23(22)28(32(30,31)18-14-12-17(2)13-15-18)25(27)20-16-26-21-9-5-4-8-19(20)21/h4-16,25-26H,3H2,1-2H3