sodium 3-(1-azanyl-2-sulfanyl-ethyl)benzenesulfonate

Systemtic Name: sodium 3-(1-azanyl-2-sulfanyl-ethyl)benzenesulfonate Openeye Name: sodium 3-(1-amino-2-sulfanyl-ethyl)benzenesulfonate CAS Name: sodium 3-(1-amino-2-mercaptoethyl)benzenesulfonate IUPAC Name: sodium 3-(1-amino-2-sulfanylethyl)benzenesulfonate Traditional Name: sodium 3-(1-amino-2-mercapto-ethyl)besylate Formula: C8H10NNaO3S2 MolecularWeight: 255.28967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S2.Na/c9-8(5-13)6-2-1-3-7(4-6)14(10,11)12;/h1-4,8,13H,5,9H2,(H,10,11,12);/q;+1/p-1