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

Systemtic Name: [3-[[cyclopropylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclopropanecarbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[cyclopropyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropanecarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclopropanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2CC2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2CC2

InChI

InChI=1S/C16H23NO4S/c1-4-22(19,20)21-15-7-5-6-13(10-15)11-17(12(2)3)16(18)14-8-9-14/h5-7,10,12,14H,4,8-9,11H2,1-3H3