4-[2-(3,5-dimethyl-4-sulfino-phenoxy)ethanoylamino]butanoic acid

Systemtic Name: 4-[2-(3,5-dimethyl-4-sulfino-phenoxy)ethanoylamino]butanoic acid Openeye Name: 4-[[2-(3,5-dimethyl-4-sulfino-phenoxy)acetyl]amino]butanoic acid CAS Name: 4-[[2-(3,5-dimethyl-4-sulfinophenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3,5-dimethyl-4-sulfinophenoxy)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(3,5-dimethyl-4-sulfino-phenoxy)acetyl]amino]butyric acid Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)O)C)OCC(=O)NCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)O)C)OCC(=O)NCCCC(=O)O

InChI

InChI=1S/C14H19NO6S/c1-9-6-11(7-10(2)14(9)22(19)20)21-8-12(16)15-5-3-4-13(17)18/h6-7H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)