[5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[cyclopropyl-(2-methyl-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclopropyl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H25NO5S MolecularWeight: 355.4491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S/c1-5-24(20,21)23-16-10-13(6-9-15(16)22-4)11-18(14-7-8-14)17(19)12(2)3/h6,9-10,12,14H,5,7-8,11H2,1-4H3