2-[(4-ethylsulfonylphenyl)-propyl-amino]ethanoic acid

Systemtic Name: 2-[(4-ethylsulfonylphenyl)-propyl-amino]ethanoic acid Openeye Name: 2-(4-ethylsulfonyl-N-propyl-anilino)acetic acid CAS Name: 2-(4-ethylsulfonyl-N-propylanilino)acetic acid IUPAC Name: 2-(4-ethylsulfonyl-N-propylanilino)acetic acid Traditional Name: 2-(4-esyl-N-propyl-anilino)acetic acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CC

Isomeric SMILES

CCCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CC

InChI

InChI=1S/C13H19NO4S/c1-3-9-14(10-13(15)16)11-5-7-12(8-6-11)19(17,18)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)