2-[(3-methylsulfonylphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(3-methylsulfonylphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-methylsulfonylbenzoyl)amino]terephthalic acid CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-methylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(3-mesylbenzoyl)amino]terephthalic acid Formula: C16H13NO7S MolecularWeight: 363.34192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H13NO7S/c1-25(23,24)11-4-2-3-9(7-11)14(18)17-13-8-10(15(19)20)5-6-12(13)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)