[5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[(cyclopropylamino)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(cyclopropylamino)methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] ester Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CNC2CC2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CNC2CC2)OC

InChI

InChI=1S/C13H19NO4S/c1-3-19(15,16)18-13-8-10(4-7-12(13)17-2)9-14-11-5-6-11/h4,7-8,11,14H,3,5-6,9H2,1-2H3