2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]-5-propylsulfanyl-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]-5-propylsulfanyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]-5-propylsulfanyl-benzoyl]amino]acetic acid CAS Name: 2-[[[2-[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]sulfonylamino]-5-(propylthio)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]-5-propylsulfanylbenzoyl]amino]acetic acid Traditional Name: 2-[[2-[(4-pivaloyloxyphenyl)sulfonylamino]-5-(propylthio)benzoyl]amino]acetic acid Formula: C23H28N2O7S2 MolecularWeight: 508.60762

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)C(=O)NCC(=O)O

Isomeric SMILES

CCCSC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)C(=O)NCC(=O)O

InChI

InChI=1S/C23H28N2O7S2/c1-5-12-33-16-8-11-19(18(13-16)21(28)24-14-20(26)27)25-34(30,31)17-9-6-15(7-10-17)32-22(29)23(2,3)4/h6-11,13,25H,5,12,14H2,1-4H3,(H,24,28)(H,26,27)