4-(3-methylsulfonylpropylcarbamoyl)phthalic acid

Systemtic Name: 4-(3-methylsulfonylpropylcarbamoyl)phthalic acid Openeye Name: 4-(3-methylsulfonylpropylcarbamoyl)phthalic acid CAS Name: 4-[(3-methylsulfonylpropylamino)-oxomethyl]phthalic acid IUPAC Name: 4-(3-methylsulfonylpropylcarbamoyl)phthalic acid Traditional Name: 4-(3-mesylpropylcarbamoyl)phthalic acid Formula: C13H15NO7S MolecularWeight: 329.3257

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO7S/c1-22(20,21)6-2-5-14-11(15)8-3-4-9(12(16)17)10(7-8)13(18)19/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)