5-(4-acetamidophenyl)sulfanylpentane-1-sulfonic acid

Systemtic Name: 5-(4-acetamidophenyl)sulfanylpentane-1-sulfonic acid Openeye Name: 5-(4-acetamidophenyl)sulfanylpentane-1-sulfonic acid CAS Name: 5-[(4-acetamidophenyl)thio]-1-pentanesulfonic acid IUPAC Name: 5-(4-acetamidophenyl)sulfanylpentane-1-sulfonic acid Traditional Name: 5-[(4-acetamidophenyl)thio]pentane-1-sulfonic acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCCCCCS(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCCCCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO4S2/c1-11(15)14-12-5-7-13(8-6-12)19-9-3-2-4-10-20(16,17)18/h5-8H,2-4,9-10H2,1H3,(H,14,15)(H,16,17,18)