2-[[2-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]-5-methyl-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]-5-methyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]-5-methyl-benzoyl]amino]acetic acid CAS Name: 2-[[[2-[[4-(2,2-dimethyl-1-oxopropoxy)-3-methylphenyl]sulfonylamino]-5-methylphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoyl]amino]acetic acid Traditional Name: 2-[[5-methyl-2-[(3-methyl-4-pivaloyloxy-phenyl)sulfonylamino]benzoyl]amino]acetic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC(=O)C(C)(C)C)C)C(=O)NCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC(=O)C(C)(C)C)C)C(=O)NCC(=O)O

InChI

InChI=1S/C22H26N2O7S/c1-13-6-8-17(16(10-13)20(27)23-12-19(25)26)24-32(29,30)15-7-9-18(14(2)11-15)31-21(28)22(3,4)5/h6-11,24H,12H2,1-5H3,(H,23,27)(H,25,26)