5-(trifluoromethyl)-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzotriazole

Systemtic Name: 5-(trifluoromethyl)-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzotriazole Openeye Name: 5-(trifluoromethyl)-1-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]benzotriazole CAS Name: 5-(trifluoromethyl)-1-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]benzotriazole IUPAC Name: 5-(trifluoromethyl)-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzotriazole Traditional Name: 1-(1-mesitylsulfonyl-4-piperidyl)-5-(trifluoromethyl)benzotriazole Formula: C21H23F3N4O2S MolecularWeight: 452.49313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3)C

InChI

InChI=1S/C21H23F3N4O2S/c1-13-10-14(2)20(15(3)11-13)31(29,30)27-8-6-17(7-9-27)28-19-5-4-16(21(22,23)24)12-18(19)25-26-28/h4-5,10-12,17H,6-9H2,1-3H3