3-[(4-bromanyl-2,5-dimethyl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(4-bromanyl-2,5-dimethyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-bromo-2,5-dimethyl-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(4-bromo-2,5-dimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(4-bromo-2,5-dimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-bromo-2,5-dimethyl-phenyl)sulfonylamino]benzoic acid Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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