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

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl-(4-chlorophenyl)sulfonyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)methyl-(4-chlorophenyl)sulfonyl-amino]cyclohexanecarboxylic acid CAS Name: 2-[(3-chloro-4-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-chloro-4-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 2-[(3-chloro-4-fluoro-benzyl)-(4-chlorophenyl)sulfonyl-amino]cyclohexanecarboxylic acid Formula: C20H20Cl2FNO4S MolecularWeight: 460.346503

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H20Cl2FNO4S/c21-14-6-8-15(9-7-14)29(27,28)24(12-13-5-10-18(23)17(22)11-13)19-4-2-1-3-16(19)20(25)26/h5-11,16,19H,1-4,12H2,(H,25,26)