2-[6-[(3-methylphenyl)sulfonylamino]hexylsulfanyl]ethanoic acid

Systemtic Name: 2-[6-[(3-methylphenyl)sulfonylamino]hexylsulfanyl]ethanoic acid Openeye Name: 2-[6-(m-tolylsulfonylamino)hexylsulfanyl]acetic acid CAS Name: 2-[6-[(3-methylphenyl)sulfonylamino]hexylthio]acetic acid IUPAC Name: 2-[6-[(3-methylphenyl)sulfonylamino]hexylsulfanyl]acetic acid Traditional Name: 2-[6-(m-tolylsulfonylamino)hexylthio]acetic acid Formula: C15H23NO4S2 MolecularWeight: 345.47742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCCCCCCSCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCCCCCCSCC(=O)O

InChI

InChI=1S/C15H23NO4S2/c1-13-7-6-8-14(11-13)22(19,20)16-9-4-2-3-5-10-21-12-15(17)18/h6-8,11,16H,2-5,9-10,12H2,1H3,(H,17,18)