[4-[(3-methoxypropylamino)methyl]phenyl] methanesulfonate

Systemtic Name: [4-[(3-methoxypropylamino)methyl]phenyl] methanesulfonate Openeye Name: [4-[(3-methoxypropylamino)methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(3-methoxypropylamino)methyl]phenyl] ester IUPAC Name: [4-[(3-methoxypropylamino)methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(3-methoxypropylamino)methyl]phenyl] ester Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNCC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

COCCCNCC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C12H19NO4S/c1-16-9-3-8-13-10-11-4-6-12(7-5-11)17-18(2,14)15/h4-7,13H,3,8-10H2,1-2H3