[3-[[cyclopentylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[cyclopentylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclopentanecarbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[cyclopentyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclopentanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2CCCC2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2CCCC2

InChI

InChI=1S/C18H27NO4S/c1-4-24(21,22)23-17-11-7-8-15(12-17)13-19(14(2)3)18(20)16-9-5-6-10-16/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3