4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine

Systemtic Name: 4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine Openeye Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid; 4-(4-methoxyphenyl)thiazol-2-amine CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid; 4-(4-methoxyphenyl)-2-thiazolamine IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine Traditional Name: 4-chloro-3-(trifluoromethyl)besylic acid; [4-(4-methoxyphenyl)thiazol-2-yl]amine Formula: C17H14ClF3N2O4S2 MolecularWeight: 466.88227

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N.C1=CC(=C(C=C1S(=O)(=O)O)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N.C1=CC(=C(C=C1S(=O)(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C10H10N2OS.C7H4ClF3O3S/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9;8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h2-6H,1H3,(H2,11,12);1-3H,(H,12,13,14)