4-(1-methylsulfonylpropylcarbamoyl)phthalic acid

Systemtic Name: 4-(1-methylsulfonylpropylcarbamoyl)phthalic acid Openeye Name: 4-(1-methylsulfonylpropylcarbamoyl)phthalic acid CAS Name: 4-[(1-methylsulfonylpropylamino)-oxomethyl]phthalic acid IUPAC Name: 4-(1-methylsulfonylpropylcarbamoyl)phthalic acid Traditional Name: 4-(1-mesylpropylcarbamoyl)phthalic acid Formula: C13H15NO7S MolecularWeight: 329.3257

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC(NC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H15NO7S/c1-3-10(22(2,20)21)14-11(15)7-4-5-8(12(16)17)9(6-7)13(18)19/h4-6,10H,3H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)