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

Systemtic Name: 4-[[(2-methylsulfonylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(2-methylsulfonylbenzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[(2-methylsulfonylphenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-methylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-mesylbenzoyl)amino]methyl]benzoic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H15NO5S/c1-23(21,22)14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(9-7-11)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)