1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-[2-(trifluoromethyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone Formula: C21H21F3N4O3S MolecularWeight: 466.47665

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21F3N4O3S/c22-21(23,24)20-25-17-8-4-5-9-18(17)28(20)14-19(29)26-10-12-27(13-11-26)32(30,31)15-16-6-2-1-3-7-16/h1-9H,10-15H2