3-[[4-[2-(2,6-dimethylphenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(2,6-dimethylphenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C19H22N2O6S/c1-13-4-3-5-14(2)19(13)27-12-17(22)21-15-6-8-16(9-7-15)28(25,26)20-11-10-18(23)24/h3-9,20H,10-12H2,1-2H3,(H,21,22)(H,23,24)