[5-(diethylamino)-2-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [5-(diethylamino)-2-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[(isopropylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[(isopropylamino)methyl]phenyl] ester Formula: C16H28N2O3S MolecularWeight: 328.47012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O3S/c1-6-18(7-2)15-10-9-14(12-17-13(4)5)16(11-15)21-22(19,20)8-3/h9-11,13,17H,6-8,12H2,1-5H3