2-[3-(methylamino)phenyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[3-(methylamino)phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[3-(methylamino)phenyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[3-(methylamino)phenyl]sulfonylethyl ester IUPAC Name: 2-[3-(methylamino)phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[3-(methylamino)phenyl]sulfonylethyl ester Formula: C9H13NO6S2 MolecularWeight: 295.33262

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=CC=C1)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CNC1=CC(=CC=C1)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C9H13NO6S2/c1-10-8-3-2-4-9(7-8)17(11,12)6-5-16-18(13,14)15/h2-4,7,10H,5-6H2,1H3,(H,13,14,15)