4-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18BrNO6S/c1-24-14-9-13(18)16(10-15(14)25-2)26(22,23)19-8-7-11-3-5-12(6-4-11)17(20)21/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)