4-[(3-methylsulfonylpropanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(3-methylsulfonylpropanoylamino)methyl]benzoic acid Openeye Name: 4-[(3-methylsulfonylpropanoylamino)methyl]benzoic acid CAS Name: 4-[[(3-methylsulfonyl-1-oxopropyl)amino]methyl]benzoic acid IUPAC Name: 4-[(3-methylsulfonylpropanoylamino)methyl]benzoic acid Traditional Name: 4-[(3-mesylpropanoylamino)methyl]benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-19(17,18)7-6-11(14)13-8-9-2-4-10(5-3-9)12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)