2-[(4-methylphenyl)sulfonyl-[4-(4-methylphenyl)sulfonyloxyphenyl]amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-[4-(4-methylphenyl)sulfonyloxyphenyl]amino]ethanoic acid Openeye Name: 2-[N-(p-tolylsulfonyl)-4-(p-tolylsulfonyloxy)anilino]acetic acid CAS Name: 2-[N-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxyanilino]acetic acid IUPAC Name: 2-[N-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxyanilino]acetic acid Traditional Name: 2-(N-tosyl-4-tosyloxy-anilino)acetic acid Formula: C22H21NO7S2 MolecularWeight: 475.53464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO7S2/c1-16-3-11-20(12-4-16)31(26,27)23(15-22(24)25)18-7-9-19(10-8-18)30-32(28,29)21-13-5-17(2)6-14-21/h3-14H,15H2,1-2H3,(H,24,25)