5-[2-(3-methylsulfonylsulfanylpropanoylamino)ethylamino]naphthalene-1-sulfonic acid

Systemtic Name: 5-[2-(3-methylsulfonylsulfanylpropanoylamino)ethylamino]naphthalene-1-sulfonic acid Openeye Name: 5-[2-(3-methylsulfonylsulfanylpropanoylamino)ethylamino]naphthalene-1-sulfonic acid CAS Name: 5-[2-[[3-(methylsulfonylthio)-1-oxopropyl]amino]ethylamino]-1-naphthalenesulfonic acid IUPAC Name: 5-[2-(3-methylsulfonylsulfanylpropanoylamino)ethylamino]naphthalene-1-sulfonic acid Traditional Name: 5-[2-[3-(mesylthio)propanoylamino]ethylamino]naphthalene-1-sulfonic acid Formula: C16H20N2O6S3 MolecularWeight: 432.5348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCC(=O)NCCNC1=CC=CC2=C1C=CC=C2S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)SCCC(=O)NCCNC1=CC=CC2=C1C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C16H20N2O6S3/c1-26(20,21)25-11-8-16(19)18-10-9-17-14-6-2-5-13-12(14)4-3-7-15(13)27(22,23)24/h2-7,17H,8-11H2,1H3,(H,18,19)(H,22,23,24)