[5-[[dimethylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[dimethylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[dimethylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[dimethylamino(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[dimethylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[dimethylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H28N2O5S MolecularWeight: 372.47962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)N(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)N(C)C)OC

InChI

InChI=1S/C17H28N2O5S/c1-7-25(21,22)24-16-10-14(8-9-15(16)23-6)12-19(11-13(2)3)17(20)18(4)5/h8-10,13H,7,11-12H2,1-6H3