4-[2-(propylsulfonylamino)propanoylamino]benzoic acid

Systemtic Name: 4-[2-(propylsulfonylamino)propanoylamino]benzoic acid Openeye Name: 4-[2-(propylsulfonylamino)propanoylamino]benzoic acid CAS Name: 4-[[1-oxo-2-(propylsulfonylamino)propyl]amino]benzoic acid IUPAC Name: 4-[2-(propylsulfonylamino)propanoylamino]benzoic acid Traditional Name: 4-[2-(propylsulfonylamino)propanoylamino]benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC(C)C(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)NC(C)C(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-3-8-21(19,20)15-9(2)12(16)14-11-6-4-10(5-7-11)13(17)18/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)(H,17,18)