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

Systemtic Name: [5-[[cyclohexylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclohexylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(cyclohexylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclohexylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H34N2O5S MolecularWeight: 426.57006

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)NC2CCCCC2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NC2CCCCC2)OC

InChI

InChI=1S/C21H34N2O5S/c1-5-29(25,26)28-20-13-17(11-12-19(20)27-4)15-23(14-16(2)3)21(24)22-18-9-7-6-8-10-18/h11-13,16,18H,5-10,14-15H2,1-4H3,(H,22,24)