1-[3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[[4-[5-(trifluoromethyl)benzotriazol-1-yl]-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[3-[[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidino]sulfonylphenyl]ethanone Formula: C20H19F3N4O3S MolecularWeight: 452.45007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N4O3S/c1-13(28)14-3-2-4-17(11-14)31(29,30)26-9-7-16(8-10-26)27-19-6-5-15(20(21,22)23)12-18(19)24-25-27/h2-6,11-12,16H,7-10H2,1H3