2-chloranyl-4-fluoranyl-5-[2-(4-methylphenyl)ethyl-propan-2-yl-sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[2-(4-methylphenyl)ethyl-propan-2-yl-sulfamoyl]benzoic acid Openeye Name: 2-chloro-4-fluoro-5-[isopropyl-[2-(p-tolyl)ethyl]sulfamoyl]benzoic acid CAS Name: 2-chloro-4-fluoro-5-[2-(4-methylphenyl)ethyl-propan-2-ylsulfamoyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-[2-(4-methylphenyl)ethyl-propan-2-ylsulfamoyl]benzoic acid Traditional Name: 2-chloro-4-fluoro-5-[isopropyl-[2-(p-tolyl)ethyl]sulfamoyl]benzoic acid Formula: C19H21ClFNO4S MolecularWeight: 413.890743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCN(C(C)C)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)CCN(C(C)C)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

InChI

InChI=1S/C19H21ClFNO4S/c1-12(2)22(9-8-14-6-4-13(3)5-7-14)27(25,26)18-10-15(19(23)24)16(20)11-17(18)21/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)