[2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [2-methoxy-5-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-methoxy-5-[(tetrahydrofurfurylamino)methyl]phenyl] ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO5S/c1-12(2)23(18,19)22-16-9-13(6-7-15(16)20-3)10-17-11-14-5-4-8-21-14/h6-7,9,12,14,17H,4-5,8,10-11H2,1-3H3