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

Systemtic Name: [4-[[cyclopropylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclopropanecarbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[cyclopropyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropanecarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(C(C)C)C(=O)C2CC2

Isomeric SMILES

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

InChI

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