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

Systemtic Name: 2-[(4-butylphenyl)sulfonylamino]-5-[(4-phenoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 2-[(4-butylphenyl)sulfonylamino]-5-[(4-phenoxyphenyl)sulfonylamino]benzoic acid CAS Name: 2-[(4-butylphenyl)sulfonylamino]-5-[(4-phenoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(4-butylphenyl)sulfonylamino]-5-[(4-phenoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-butylphenyl)sulfonylamino]-5-[(4-phenoxyphenyl)sulfonylamino]benzoic acid Formula: C29H28N2O7S2 MolecularWeight: 580.67182

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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=C4)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=C4)C(=O)O

InChI

InChI=1S/C29H28N2O7S2/c1-2-3-7-21-10-15-25(16-11-21)40(36,37)31-28-19-12-22(20-27(28)29(32)33)30-39(34,35)26-17-13-24(14-18-26)38-23-8-5-4-6-9-23/h4-6,8-20,30-31H,2-3,7H2,1H3,(H,32,33)