3-[4-(1,5-DIMETHYL-HEXYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-N-(2-METHOXY-PHENYL)-BENZENESULFONAMIDE

pro_cas
pro_cdbregno
CCD00404479
pro_formula
C23 H30 N4 O3 S2
pro_molWeight
474.647

basic_info

Product_Name: 3-[4-(1,5-DIMETHYL-HEXYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-N-(2-METHOXY-PHENYL)-BENZENESULFONAMIDE
EnglishSynonyms: 3-[4-(1,5-DIMETHYL-HEXYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-N-(2-METHOXY-PHENYL)-BENZENESULFONAMIDE ; N-(2-METHOXYPHENYL)-3-[4-(6-METHYLHEPTAN-2-YL)-5-SULFANYL-4H-1,2,4-TRIAZOL-3-YL]BENZENE-1-SULFONAMIDE ; N-(2-METHOXYPHENYL)-3-[4-(6-METHYLHEPTAN-2-YL)-5-SULFANYL-1,2,4-TRIAZOL-3-YL]BENZENESULFONAMIDE
pro_mdlNumber: MFCD03653101
pro_acceptors: 7
pro_donors: 1
pro_smile: CC(C)CCCC(C)n1c(nnc1S)c2cccc(c2)S(=O)(=O)Nc3ccccc3OC
InChi: InChI=1S/C23H30N4O3S2/c1-16(2)9-7-10-17(3)27-22(24-25-23(27)31)18-11-8-12-19(15-18)32(28,29)26-20-13-5-6-14-21(20)30-4/h5-6,8,11-17,26H,7,9-10H2,1-4H3,(H,25,31)
InChiKey: InChIKey=SQVWTHMJQRKTDD-UHFFFAOYSA-N

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