[5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[(isobutylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[(isobutylamino)methyl]phenyl] ester Formula: C17H30N2O3S MolecularWeight: 342.4967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O3S/c1-6-19(7-2)16-10-9-15(13-18-12-14(4)5)17(11-16)22-23(20,21)8-3/h9-11,14,18H,6-8,12-13H2,1-5H3