3-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C22H26N4O3S/c1-16-7-8-20(17(2)15-16)30(28,29)26-13-11-25(12-14-26)22(27)10-9-21-23-18-5-3-4-6-19(18)24-21/h3-8,15H,9-14H2,1-2H3,(H,23,24)