[5-[[butan-2-yl(3-cyclopentylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl(3-cyclopentylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[3-cyclopentylpropanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-(3-cyclopentyl-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(3-cyclopentylpropanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[3-cyclopentylpropanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H35NO5S MolecularWeight: 425.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)CCC2CCCC2

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)CCC2CCCC2

InChI

InChI=1S/C22H35NO5S/c1-5-17(3)23(22(24)14-12-18-9-7-8-10-18)16-19-11-13-20(27-4)21(15-19)28-29(25,26)6-2/h11,13,15,17-18H,5-10,12,14,16H2,1-4H3