2-[(3,5-dimethylphenyl)-propylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)-propylsulfonyl-amino]ethanoic acid Openeye Name: 2-(3,5-dimethyl-N-propylsulfonyl-anilino)acetic acid CAS Name: 2-(3,5-dimethyl-N-propylsulfonylanilino)acetic acid IUPAC Name: 2-(3,5-dimethyl-N-propylsulfonylanilino)acetic acid Traditional Name: 2-(3,5-dimethyl-N-propylsulfonyl-anilino)acetic acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-4-5-19(17,18)14(9-13(15)16)12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H,15,16)