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

Systemtic Name: 2-[(2-methylphenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[o-tolylmethyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(2-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(2-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(2-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)S(=O)(=O)N(CC2=CC=CC=C2C)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2C)C3=CC=CC=C3C(=O)O

InChI

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