2-[(2,6-dimethylphenyl)-propylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)-propylsulfonyl-amino]propanoic acid Openeye Name: 2-(2,6-dimethyl-N-propylsulfonyl-anilino)propanoic acid CAS Name: 2-(2,6-dimethyl-N-propylsulfonylanilino)propanoic acid IUPAC Name: 2-(2,6-dimethyl-N-propylsulfonylanilino)propanoic acid Traditional Name: 2-(2,6-dimethyl-N-propylsulfonyl-anilino)propionic acid Formula: C14H21NO4S MolecularWeight: 299.38584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=C(C=CC=C1C)C)C(C)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N(C1=C(C=CC=C1C)C)C(C)C(=O)O

InChI

InChI=1S/C14H21NO4S/c1-5-9-20(18,19)15(12(4)14(16)17)13-10(2)7-6-8-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,17)