1-[1-(5-chloranyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole

Systemtic Name: 1-[1-(5-chloranyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole Openeye Name: 1-[1-(5-chloro-2-methyl-phenyl)sulfonyl-4-piperidyl]-5-(trifluoromethyl)benzotriazole CAS Name: 1-[1-(5-chloro-2-methylphenyl)sulfonyl-4-piperidinyl]-5-(trifluoromethyl)benzotriazole IUPAC Name: 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole Traditional Name: 1-[1-(5-chloro-2-methyl-phenyl)sulfonyl-4-piperidyl]-5-(trifluoromethyl)benzotriazole Formula: C19H18ClF3N4O2S MolecularWeight: 458.88503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClF3N4O2S/c1-12-2-4-14(20)11-18(12)30(28,29)26-8-6-15(7-9-26)27-17-5-3-13(19(21,22)23)10-16(17)24-25-27/h2-5,10-11,15H,6-9H2,1H3