4-(5-chloranyl-2-fluoranyl-phenyl)-1-[(4-chlorophenyl)sulfonylamino]pentane-1-sulfonic acid

Systemtic Name: 4-(5-chloranyl-2-fluoranyl-phenyl)-1-[(4-chlorophenyl)sulfonylamino]pentane-1-sulfonic acid Openeye Name: 4-(5-chloro-2-fluoro-phenyl)-1-[(4-chlorophenyl)sulfonylamino]pentane-1-sulfonic acid CAS Name: 4-(5-chloro-2-fluorophenyl)-1-[(4-chlorophenyl)sulfonylamino]-1-pentanesulfonic acid IUPAC Name: 4-(5-chloro-2-fluorophenyl)-1-[(4-chlorophenyl)sulfonylamino]pentane-1-sulfonic acid Traditional Name: 4-(5-chloro-2-fluoro-phenyl)-1-[(4-chlorophenyl)sulfonylamino]pentane-1-sulfonic acid Formula: C17H18Cl2FNO5S2 MolecularWeight: 470.362923

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(NS(=O)(=O)C1=CC=C(C=C1)Cl)S(=O)(=O)O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

CC(CCC(NS(=O)(=O)C1=CC=C(C=C1)Cl)S(=O)(=O)O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C17H18Cl2FNO5S2/c1-11(15-10-13(19)5-8-16(15)20)2-9-17(28(24,25)26)21-27(22,23)14-6-3-12(18)4-7-14/h3-8,10-11,17,21H,2,9H2,1H3,(H,24,25,26)