2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[(3-methoxyphenyl)methyl-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[m-anisyl(tosyl)amino]benzoic acid Formula: C22H21NO5S MolecularWeight: 411.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)OC)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)OC)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H21NO5S/c1-16-10-12-19(13-11-16)29(26,27)23(15-17-6-5-7-18(14-17)28-2)21-9-4-3-8-20(21)22(24)25/h3-14H,15H2,1-2H3,(H,24,25)