ethanoic acid; 4-methyl-N-[2-methyl-1,3-bis(sulfanyl)propan-2-yl]benzenesulfonamide

Systemtic Name: ethanoic acid; 4-methyl-N-[2-methyl-1,3-bis(sulfanyl)propan-2-yl]benzenesulfonamide Openeye Name: acetic acid; 4-methyl-N-[1-methyl-2-sulfanyl-1-(sulfanylmethyl)ethyl]benzenesulfonamide CAS Name: acetic acid; N-(1,3-dimercapto-2-methylpropan-2-yl)-4-methylbenzenesulfonamide IUPAC Name: acetic acid; 4-methyl-N-[2-methyl-1,3-bis(sulfanyl)propan-2-yl]benzenesulfonamide Traditional Name: acetic acid; N-[2-mercapto-1-(mercaptomethyl)-1-methyl-ethyl]-4-methyl-benzenesulfonamide Formula: C15H25NO6S3 MolecularWeight: 411.5571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(CS)CS.CC(=O)O.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(CS)CS.CC(=O)O.CC(=O)O

InChI

InChI=1S/C11H17NO2S3.2C2H4O2/c1-9-3-5-10(6-4-9)17(13,14)12-11(2,7-15)8-16;2*1-2(3)4/h3-6,12,15-16H,7-8H2,1-2H3;2*1H3,(H,3,4)