2-[[3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Formula: C21H19BrN2O7S2 MolecularWeight: 555.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H19BrN2O7S2/c1-2-31-19-11-10-14(22)12-20(19)33(29,30)23-15-6-5-7-16(13-15)32(27,28)24-18-9-4-3-8-17(18)21(25)26/h3-13,23-24H,2H2,1H3,(H,25,26)