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

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C17H24ClNO5S MolecularWeight: 389.89416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClNO5S/c1-3-25(21,22)24-16-8-7-15(18)11-14(16)12-19(9-10-23-2)17(20)13-5-4-6-13/h7-8,11,13H,3-6,9-10,12H2,1-2H3