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

Systemtic Name: 4-[2-(propylsulfonylamino)ethyl]benzoic acid Openeye Name: 4-[2-(propylsulfonylamino)ethyl]benzoic acid CAS Name: 4-[2-(propylsulfonylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(propylsulfonylamino)ethyl]benzoic acid Traditional Name: 4-[2-(propylsulfonylamino)ethyl]benzoic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H17NO4S/c1-2-9-18(16,17)13-8-7-10-3-5-11(6-4-10)12(14)15/h3-6,13H,2,7-9H2,1H3,(H,14,15)