2-[2-[(2-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(2-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(2-ethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(2-ethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(2-ethyl-N-mesyl-anilino)acetyl]amino]benzoic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-3-13-8-4-7-11-16(13)20(26(2,24)25)12-17(21)19-15-10-6-5-9-14(15)18(22)23/h4-11H,3,12H2,1-2H3,(H,19,21)(H,22,23)