1-[1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole

Systemtic Name: 1-[1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole Openeye Name: 1-[1-(3-chloro-4-methyl-phenyl)sulfonyl-4-piperidyl]-5-(trifluoromethyl)benzotriazole CAS Name: 1-[1-(3-chloro-4-methylphenyl)sulfonyl-4-piperidinyl]-5-(trifluoromethyl)benzotriazole IUPAC Name: 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole Traditional Name: 1-[1-(3-chloro-4-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)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3)Cl

Isomeric SMILES

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

InChI

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