3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)-1-piperidyl]propan-1-one CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-1-[3-(trifluoromethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)-1-[3-(trifluoromethyl)piperidino]propan-1-one Formula: C22H29F3N4O3S MolecularWeight: 486.55087

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)N4CCCC(C4)C(F)(F)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)N4CCCC(C4)C(F)(F)F

InChI

InChI=1S/C22H29F3N4O3S/c1-27-19-8-7-17(33(31,32)29-12-3-2-4-13-29)14-18(19)26-20(27)9-10-21(30)28-11-5-6-16(15-28)22(23,24)25/h7-8,14,16H,2-6,9-13,15H2,1H3