2-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-methoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-methoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(N-mesyl-4-methoxy-anilino)acetyl]amino]benzoic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C17H18N2O6S/c1-25-13-9-7-12(8-10-13)19(26(2,23)24)11-16(20)18-15-6-4-3-5-14(15)17(21)22/h3-10H,11H2,1-2H3,(H,18,20)(H,21,22)