sodium 5-[2-(3-methylsulfonylsulfanylpropanoylamino)ethylamino]naphthalene-1-sulfonate

Systemtic Name: sodium 5-[2-(3-methylsulfonylsulfanylpropanoylamino)ethylamino]naphthalene-1-sulfonate Openeye Name: sodium 5-[2-(3-methylsulfonylsulfanylpropanoylamino)ethylamino]naphthalene-1-sulfonate CAS Name: sodium 5-[2-[[3-(methylsulfonylthio)-1-oxopropyl]amino]ethylamino]-1-naphthalenesulfonate IUPAC Name: sodium 5-[2-(3-methylsulfonylsulfanylpropanoylamino)ethylamino]naphthalene-1-sulfonate Traditional Name: sodium 5-[2-[3-(mesylthio)propanoylamino]ethylamino]naphthalene-1-sulfonate Formula: C16H19N2NaO6S3 MolecularWeight: 454.51663

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCC(=O)NCCNC1=CC=CC2=C1C=CC=C2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)SCCC(=O)NCCNC1=CC=CC2=C1C=CC=C2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H20N2O6S3.Na/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);/q;+1/p-1