1-pyridin-2-ylethyl propane-1-sulfonate

Systemtic Name: 1-pyridin-2-ylethyl propane-1-sulfonate Openeye Name: 1-(2-pyridyl)ethyl propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: 1-pyridin-2-ylethyl propane-1-sulfonate Traditional Name: propane-1-sulfonic acid 1-(2-pyridyl)ethyl ester Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC(C)C1=CC=CC=N1

Isomeric SMILES

CCCS(=O)(=O)OC(C)C1=CC=CC=N1

InChI

InChI=1S/C10H15NO3S/c1-3-8-15(12,13)14-9(2)10-6-4-5-7-11-10/h4-7,9H,3,8H2,1-2H3