[5-(diethylamino)-2-[(oxolan-2-ylmethylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [5-(diethylamino)-2-[(oxolan-2-ylmethylamino)methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[(2-oxolanylmethylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(oxolan-2-ylmethylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[(tetrahydrofurfurylamino)methyl]phenyl] ester Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CNCC2CCCO2)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CNCC2CCCO2)OS(=O)(=O)CC

InChI

InChI=1S/C18H30N2O4S/c1-4-20(5-2)16-10-9-15(13-19-14-17-8-7-11-23-17)18(12-16)24-25(21,22)6-3/h9-10,12,17,19H,4-8,11,13-14H2,1-3H3