[4-[2-(2-methylpropanoylamino)ethyl]phenyl] hydrogen sulfate

Systemtic Name: [4-[2-(2-methylpropanoylamino)ethyl]phenyl] hydrogen sulfate Openeye Name: [4-[2-(2-methylpropanoylamino)ethyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[2-[(2-methyl-1-oxopropyl)amino]ethyl]phenyl] ester IUPAC Name: [4-[2-(2-methylpropanoylamino)ethyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[2-(isobutyrylamino)ethyl]phenyl] ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)O

Isomeric SMILES

CC(C)C(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)O

InChI

InChI=1S/C12H17NO5S/c1-9(2)12(14)13-8-7-10-3-5-11(6-4-10)18-19(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,13,14)(H,15,16,17)