[3-oxidanylidene-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate

Systemtic Name: [3-oxidanylidene-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate Openeye Name: [3-oxo-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate CAS Name: sulfuric acid [3-[4-[2-(2-mercaptoethylamino)ethylamino]phenyl]-3-oxopropyl] ester IUPAC Name: [3-oxo-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate Traditional Name: sulfuric acid [3-keto-3-[4-[2-(2-mercaptoethylamino)ethylamino]phenyl]propyl] ester Formula: C13H20N2O5S2 MolecularWeight: 348.4383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCOS(=O)(=O)O)NCCNCCS

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCOS(=O)(=O)O)NCCNCCS

InChI

InChI=1S/C13H20N2O5S2/c16-13(5-9-20-22(17,18)19)11-1-3-12(4-2-11)15-7-6-14-8-10-21/h1-4,14-15,21H,5-10H2,(H,17,18,19)