sodium 4-[3-[1,1-bis(oxidanylidene)-1,2-thiaziridin-2-yl]propoxy]benzenesulfonate

Systemtic Name: sodium 4-[3-[1,1-bis(oxidanylidene)-1,2-thiaziridin-2-yl]propoxy]benzenesulfonate Openeye Name: sodium 4-[3-(1,1-dioxothiaziridin-2-yl)propoxy]benzenesulfonate CAS Name: sodium 4-[3-(1,1-dioxo-2-thiaziridinyl)propoxy]benzenesulfonate IUPAC Name: sodium 4-[3-(1,1-dioxothiaziridin-2-yl)propoxy]benzenesulfonate Traditional Name: sodium 4-[3-(1,1-diketothiaziridin-2-yl)propoxy]besylate Formula: C10H12NNaO6S2 MolecularWeight: 329.32515

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Descriptors Computed from Structure

Canonical SMILES:

C1N(S1(=O)=O)CCCOC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1N(S1(=O)=O)CCCOC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H13NO6S2.Na/c12-18(13)8-11(18)6-1-7-17-9-2-4-10(5-3-9)19(14,15)16;/h2-5H,1,6-8H2,(H,14,15,16);/q;+1/p-1