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

Systemtic Name: [2-[(cyclopropylamino)methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[(cyclopropylamino)methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[(cyclopropylamino)methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[(cyclopropylamino)methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[(cyclopropylamino)methyl]-5-(diethylamino)phenyl] ester Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CNC2CC2)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CNC2CC2)OS(=O)(=O)CC

InChI

InChI=1S/C16H26N2O3S/c1-4-18(5-2)15-10-7-13(12-17-14-8-9-14)16(11-15)21-22(19,20)6-3/h7,10-11,14,17H,4-6,8-9,12H2,1-3H3