4-(3-methylsulfonylpropanoylamino)benzoic acid

Systemtic Name: 4-(3-methylsulfonylpropanoylamino)benzoic acid Openeye Name: 4-(3-methylsulfonylpropanoylamino)benzoic acid CAS Name: 4-[(3-methylsulfonyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 4-(3-methylsulfonylpropanoylamino)benzoic acid Traditional Name: 4-(3-mesylpropanoylamino)benzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H13NO5S/c1-18(16,17)7-6-10(13)12-9-4-2-8(3-5-9)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)