4-[(2-bromanyl-4,5-dimethyl-phenyl)sulfonylamino]benzoate

Systemtic Name: 4-[(2-bromanyl-4,5-dimethyl-phenyl)sulfonylamino]benzoate Openeye Name: 4-[(2-bromo-4,5-dimethyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(2-bromo-4,5-dimethylphenyl)sulfonylamino]benzoate IUPAC Name: 4-[(2-bromo-4,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(2-bromo-4,5-dimethyl-phenyl)sulfonylamino]benzoate Formula: C15H13BrNO4S- MolecularWeight: 383.23702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H14BrNO4S/c1-9-7-13(16)14(8-10(9)2)22(20,21)17-12-5-3-11(4-6-12)15(18)19/h3-8,17H,1-2H3,(H,18,19)/p-1