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

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C17H24ClNO4S MolecularWeight: 373.89476

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C2CCC2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C2CCC2

InChI

InChI=1S/C17H24ClNO4S/c1-4-24(21,22)23-16-9-8-15(18)10-14(16)11-19(12(2)3)17(20)13-6-5-7-13/h8-10,12-13H,4-7,11H2,1-3H3