5-bromanyl-2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 5-bromo-2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid CAS Name: 5-bromo-2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-bromo-2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 5-bromo-2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

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