[4-[(oxolan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[(oxolan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[(oxolan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[(tetrahydrofurfurylamino)methyl]phenyl] ester Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CNCC2CCCO2

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CNCC2CCCO2

InChI

InChI=1S/C15H23NO4S/c1-12(2)21(17,18)20-14-7-5-13(6-8-14)10-16-11-15-4-3-9-19-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3