sodium 4-(ethanethioylamino)benzenesulfonate

Systemtic Name: sodium 4-(ethanethioylamino)benzenesulfonate Openeye Name: sodium 4-(ethanethioylamino)benzenesulfonate CAS Name: sodium 4-(1-sulfanylideneethylamino)benzenesulfonate IUPAC Name: sodium 4-(ethanethioylamino)benzenesulfonate Traditional Name: sodium 4-(thioacetylamino)besylate Formula: C8H8NNaO3S2 MolecularWeight: 253.27379

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=S)NC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H9NO3S2.Na/c1-6(13)9-7-2-4-8(5-3-7)14(10,11)12;/h2-5H,1H3,(H,9,13)(H,10,11,12);/q;+1/p-1