2-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-isopropyl-N-tosyl-anilino)acetyl]amino]benzoic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H26N2O5S/c1-17(2)19-10-12-20(13-11-19)27(33(31,32)21-14-8-18(3)9-15-21)16-24(28)26-23-7-5-4-6-22(23)25(29)30/h4-15,17H,16H2,1-3H3,(H,26,28)(H,29,30)