2-[[4-(4-bromanylphenoxy)phenyl]sulfonylamino]-3-(2-hydroxyethylsulfonyl)-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-bromanylphenoxy)phenyl]sulfonylamino]-3-(2-hydroxyethylsulfonyl)-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonylamino]-3-(2-hydroxyethylsulfonyl)-3-methyl-butanoic acid CAS Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonylamino]-3-(2-hydroxyethylsulfonyl)-3-methylbutanoic acid IUPAC Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonylamino]-3-(2-hydroxyethylsulfonyl)-3-methylbutanoic acid Traditional Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonylamino]-3-(2-hydroxyethylsulfonyl)-3-methyl-butyric acid Formula: C19H22BrNO8S2 MolecularWeight: 536.41388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)S(=O)(=O)CCO

Isomeric SMILES

CC(C)(C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)S(=O)(=O)CCO

InChI

InChI=1S/C19H22BrNO8S2/c1-19(2,30(25,26)12-11-22)17(18(23)24)21-31(27,28)16-9-7-15(8-10-16)29-14-5-3-13(20)4-6-14/h3-10,17,21-22H,11-12H2,1-2H3,(H,23,24)