[3-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(3-cyclopentyl-1-oxopropyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S/c1-3-27(23,24)26-19-10-6-9-18(15-19)16-21(13-14-25-2)20(22)12-11-17-7-4-5-8-17/h6,9-10,15,17H,3-5,7-8,11-14,16H2,1-2H3