2-[(4-butylphenyl)sulfonylamino]-5-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[(4-butylphenyl)sulfonylamino]-5-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[(4-butylphenyl)sulfonylamino]-5-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid CAS Name: 2-[(4-butylphenyl)sulfonylamino]-5-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[(4-butylphenyl)sulfonylamino]-5-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[(4-butylphenyl)sulfonylamino]-5-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid Formula: C30H30N2O8S2 MolecularWeight: 610.6978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4OC)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4OC)C(=O)O

InChI

InChI=1S/C30H30N2O8S2/c1-3-4-7-21-10-15-24(16-11-21)42(37,38)32-27-19-12-22(20-26(27)30(33)34)31-41(35,36)25-17-13-23(14-18-25)40-29-9-6-5-8-28(29)39-2/h5-6,8-20,31-32H,3-4,7H2,1-2H3,(H,33,34)