[2-[[cyclopropyl(ethanoyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate

Systemtic Name: [2-[[cyclopropyl(ethanoyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[acetyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[acetyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[acetyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[acetyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C18H28N2O4S MolecularWeight: 368.49092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C)OS(=O)(=O)CC

InChI

InChI=1S/C18H28N2O4S/c1-5-19(6-2)17-9-8-15(13-20(14(4)21)16-10-11-16)18(12-17)24-25(22,23)7-3/h8-9,12,16H,5-7,10-11,13H2,1-4H3