5-bromanyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 5-bromo-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid CAS Name: 5-bromo-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-bromo-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 5-bromo-2-(mesitylsulfonylamino)benzoic acid Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO4S/c1-9-6-10(2)15(11(3)7-9)23(21,22)18-14-5-4-12(17)8-13(14)16(19)20/h4-8,18H,1-3H3,(H,19,20)