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

Systemtic Name: 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[p-tolylmethyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-methylbenzyl)-tosyl-amino]benzoic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO4S/c1-16-7-11-18(12-8-16)15-23(21-6-4-3-5-20(21)22(24)25)28(26,27)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3,(H,24,25)