[2-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate

Systemtic Name: [2-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C21H34N2O4S MolecularWeight: 410.57066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C(C)C)C(=O)C2CCC2)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C(C)C)C(=O)C2CCC2)OS(=O)(=O)CC

InChI

InChI=1S/C21H34N2O4S/c1-6-22(7-2)19-13-12-18(20(14-19)27-28(25,26)8-3)15-23(16(4)5)21(24)17-10-9-11-17/h12-14,16-17H,6-11,15H2,1-5H3