4-[[(2-methylsulfonylphenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-methylsulfonylphenyl)amino]methyl]benzoic acid Openeye Name: 4-[(2-methylsulfonylanilino)methyl]benzoic acid CAS Name: 4-[(2-methylsulfonylanilino)methyl]benzoic acid IUPAC Name: 4-[(2-methylsulfonylanilino)methyl]benzoic acid Traditional Name: 4-[(2-mesylanilino)methyl]benzoic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15NO4S/c1-21(19,20)14-5-3-2-4-13(14)16-10-11-6-8-12(9-7-11)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)