[4-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(3-cyclopentyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4S/c1-4-27(24,25)26-20-12-9-19(10-13-20)16-22(15-17(2)3)21(23)14-11-18-7-5-6-8-18/h9-10,12-13,17-18H,4-8,11,14-16H2,1-3H3