2-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methyl-(4-chlorophenyl)sulfonyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methyl-(4-chlorophenyl)sulfonyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)sulfonyl-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]amino]cyclohexanecarboxylic acid CAS Name: 2-[(4-chlorophenyl)sulfonyl-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[(4-chlorophenyl)sulfonyl-[3-chloro-4-(trifluoromethoxy)benzyl]amino]cyclohexanecarboxylic acid Formula: C21H20Cl2F3NO5S MolecularWeight: 526.35341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)N(CC2=CC(=C(C=C2)OC(F)(F)F)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(C(C1)C(=O)O)N(CC2=CC(=C(C=C2)OC(F)(F)F)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20Cl2F3NO5S/c22-14-6-8-15(9-7-14)33(30,31)27(18-4-2-1-3-16(18)20(28)29)12-13-5-10-19(17(23)11-13)32-21(24,25)26/h5-11,16,18H,1-4,12H2,(H,28,29)