(2S)-2-[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]propanoic acid

Systemtic Name: (2S)-2-[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]propanoic acid Openeye Name: (2S)-2-[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]propanoic acid CAS Name: (2S)-2-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]propanoic acid IUPAC Name: (2S)-2-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]propanoic acid Traditional Name: (2S)-2-[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]propionic acid Formula: C18H21NO5S MolecularWeight: 363.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)O[C@@H](C)C(=O)O)C

InChI

InChI=1S/C18H21NO5S/c1-12-5-10-17(11-13(12)2)25(22,23)19(4)15-6-8-16(9-7-15)24-14(3)18(20)21/h5-11,14H,1-4H3,(H,20,21)/t14-/m0/s1