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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)CCC2CCCC2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)CCC2CCCC2)OC

InChI

InChI=1S/C22H35NO5S/c1-5-29(25,26)28-21-14-19(10-12-20(21)27-4)16-23(15-17(2)3)22(24)13-11-18-8-6-7-9-18/h10,12,14,17-18H,5-9,11,13,15-16H2,1-4H3