3-[(1-methylsulfonylpyrrolidin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(1-methylsulfonylpyrrolidin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(1-methylsulfonyl-2-pyrrolidinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(1-mesylprolyl)amino]benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-21(19,20)15-7-3-6-11(15)12(16)14-10-5-2-4-9(8-10)13(17)18/h2,4-5,8,11H,3,6-7H2,1H3,(H,14,16)(H,17,18)