3-[[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]benzoyl]amino]benzoic acid CAS Name: 3-[[[4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid Traditional Name: 3-[[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]benzoyl]amino]benzoic acid Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C26H28N2O5S/c1-16-13-20(26(3,4)5)15-23(17(16)2)34(32,33)28-21-11-9-18(10-12-21)24(29)27-22-8-6-7-19(14-22)25(30)31/h6-15,28H,1-5H3,(H,27,29)(H,30,31)