2-[(4-ethylphenyl)-propylsulfonyl-amino]ethanoate

Systemtic Name: 2-[(4-ethylphenyl)-propylsulfonyl-amino]ethanoate Openeye Name: 2-(4-ethyl-N-propylsulfonyl-anilino)acetate CAS Name: 2-(4-ethyl-N-propylsulfonylanilino)acetate IUPAC Name: 2-(4-ethyl-N-propylsulfonylanilino)acetate Traditional Name: 2-(4-ethyl-N-propylsulfonyl-anilino)acetate Formula: C13H18NO4S- MolecularWeight: 284.35132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC(=O)[O-])C1=CC=C(C=C1)CC

Isomeric SMILES

CCCS(=O)(=O)N(CC(=O)[O-])C1=CC=C(C=C1)CC

InChI

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