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4-[2-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
4-[2-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CCC3=CC=C(C=C3)C(=O)O
Isomeric SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CCC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C25H27NO4S/c1-25(2,3)21-13-15-23(16-14-21)31(29,30)26-22-6-4-5-19(17-22)8-7-18-9-11-20(12-10-18)24(27)28/h4-6,9-17,26H,7-8H2,1-3H3,(H,27,28)
Other Product
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