3-[2-[(4-ethoxyphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(4-ethoxyphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[N-(benzenesulfonyl)-4-ethoxy-anilino]acetyl]amino]benzoic acid CAS Name: 3-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]amino]benzoic acid Traditional Name: 3-[[2-(N-besyl-4-ethoxy-anilino)acetyl]amino]benzoic acid Formula: C23H22N2O6S MolecularWeight: 454.49558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6S/c1-2-31-20-13-11-19(12-14-20)25(32(29,30)21-9-4-3-5-10-21)16-22(26)24-18-8-6-7-17(15-18)23(27)28/h3-15H,2,16H2,1H3,(H,24,26)(H,27,28)