2-bromanyl-6-methyl-3-[(4-methylphenyl)-propyl-sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-6-methyl-3-[(4-methylphenyl)-propyl-sulfamoyl]benzoic acid Openeye Name: 2-bromo-6-methyl-3-[propyl(p-tolyl)sulfamoyl]benzoic acid CAS Name: 2-bromo-6-methyl-3-[(4-methylphenyl)-propylsulfamoyl]benzoic acid IUPAC Name: 2-bromo-6-methyl-3-[(4-methylphenyl)-propylsulfamoyl]benzoic acid Traditional Name: 2-bromo-6-methyl-3-[propyl(p-tolyl)sulfamoyl]benzoic acid Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=C(C=C1)C)S(=O)(=O)C2=C(C(=C(C=C2)C)C(=O)O)Br

Isomeric SMILES

CCCN(C1=CC=C(C=C1)C)S(=O)(=O)C2=C(C(=C(C=C2)C)C(=O)O)Br

InChI

InChI=1S/C18H20BrNO4S/c1-4-11-20(14-8-5-12(2)6-9-14)25(23,24)15-10-7-13(3)16(17(15)19)18(21)22/h5-10H,4,11H2,1-3H3,(H,21,22)