3-[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]propanoic acid

Systemtic Name: 3-[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]propanoic acid Openeye Name: 3-[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]propanoic acid CAS Name: 3-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]propanoic acid IUPAC Name: 3-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]propanoic acid Traditional Name: 3-[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]propionic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCCC(=O)O)C

InChI

InChI=1S/C18H21NO5S/c1-13-4-9-17(12-14(13)2)25(22,23)19(3)15-5-7-16(8-6-15)24-11-10-18(20)21/h4-9,12H,10-11H2,1-3H3,(H,20,21)