2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(methylsulfonylmethyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(methylsulfonylmethyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[3-(mesylmethyl)benzoyl]amino]terephthalic acid Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H15NO7S/c1-26(24,25)9-10-3-2-4-11(7-10)15(19)18-14-8-12(16(20)21)5-6-13(14)17(22)23/h2-8H,9H2,1H3,(H,18,19)(H,20,21)(H,22,23)