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

Systemtic Name: 4-[(2-methylphenyl)methyl-methylsulfonyl-amino]benzoic acid Openeye Name: 4-[methylsulfonyl(o-tolylmethyl)amino]benzoic acid CAS Name: 4-[(2-methylphenyl)methyl-methylsulfonylamino]benzoic acid IUPAC Name: 4-[(2-methylphenyl)methyl-methylsulfonylamino]benzoic acid Traditional Name: 4-[mesyl-(2-methylbenzyl)amino]benzoic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C16H17NO4S/c1-12-5-3-4-6-14(12)11-17(22(2,20)21)15-9-7-13(8-10-15)16(18)19/h3-10H,11H2,1-2H3,(H,18,19)