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

Systemtic Name: [2-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC=C1CN(C(C)C)C(=O)C2CCC2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC=C1CN(C(C)C)C(=O)C2CCC2

InChI

InChI=1S/C17H25NO4S/c1-4-23(20,21)22-16-11-6-5-8-15(16)12-18(13(2)3)17(19)14-9-7-10-14/h5-6,8,11,13-14H,4,7,9-10,12H2,1-3H3