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

Systemtic Name: [5-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(3-cyclopentyl-1-oxopropyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO5S/c1-5-28(24,25)27-20-14-18(10-12-19(20)26-4)15-22(16(2)3)21(23)13-11-17-8-6-7-9-17/h10,12,14,16-17H,5-9,11,13,15H2,1-4H3