[5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[cyclopropyl-(3,3-dimethyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H29NO5S MolecularWeight: 383.50226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)CC(C)(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)CC(C)(C)C)OC

InChI

InChI=1S/C19H29NO5S/c1-6-26(22,23)25-17-11-14(7-10-16(17)24-5)13-20(15-8-9-15)18(21)12-19(2,3)4/h7,10-11,15H,6,8-9,12-13H2,1-5H3