2-[2-(4-chloranylsulfonyl-3,5-dimethyl-phenoxy)ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-(4-chloranylsulfonyl-3,5-dimethyl-phenoxy)ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-(4-chlorosulfonyl-3,5-dimethyl-phenoxy)acetyl]amino]pentanedioic acid CAS Name: 2-[[2-(4-chlorosulfonyl-3,5-dimethylphenoxy)-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-(4-chlorosulfonyl-3,5-dimethyl-phenoxy)acetyl]amino]glutaric acid Formula: C15H18ClNO8S MolecularWeight: 407.82332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)Cl)C)OCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)Cl)C)OCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C15H18ClNO8S/c1-8-5-10(6-9(2)14(8)26(16,23)24)25-7-12(18)17-11(15(21)22)3-4-13(19)20/h5-6,11H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)