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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1Br)OCC)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1Br)OCC)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18BrNO6S/c1-3-24-14-10-16(15(25-4-2)9-13(14)18)26(22,23)19-12-7-5-11(6-8-12)17(20)21/h5-10,19H,3-4H2,1-2H3,(H,20,21)