3-[[3,5-bis(bromanyl)phenyl]-(2-methylpropyl)sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[3,5-bis(bromanyl)phenyl]-(2-methylpropyl)sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[(3,5-dibromophenyl)-isobutyl-sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[(3,5-dibromophenyl)-(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[(3,5-dibromophenyl)-(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[(3,5-dibromophenyl)-isobutyl-sulfamoyl]-4-methyl-benzoic acid Formula: C18H19Br2NO4S MolecularWeight: 505.22076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(CC(C)C)C2=CC(=CC(=C2)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(CC(C)C)C2=CC(=CC(=C2)Br)Br

InChI

InChI=1S/C18H19Br2NO4S/c1-11(2)10-21(16-8-14(19)7-15(20)9-16)26(24,25)17-6-13(18(22)23)5-4-12(17)3/h4-9,11H,10H2,1-3H3,(H,22,23)