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

Systemtic Name: 2-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-isopropyl-N-mesyl-anilino)acetyl]amino]benzoic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-13(2)14-8-10-15(11-9-14)21(27(3,25)26)12-18(22)20-17-7-5-4-6-16(17)19(23)24/h4-11,13H,12H2,1-3H3,(H,20,22)(H,23,24)