2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]benzoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]benzoic acid Openeye Name: 2-[isobutyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]benzoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]benzoic acid Traditional Name: 2-[isobutyl(tosyl)amino]benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H21NO4S/c1-13(2)12-19(17-7-5-4-6-16(17)18(20)21)24(22,23)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3,(H,20,21)