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

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-(2-dimethylaminoethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C18H27ClN2O4S MolecularWeight: 402.93598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O4S/c1-4-26(23,24)25-17-9-8-16(19)12-15(17)13-21(11-10-20(2)3)18(22)14-6-5-7-14/h8-9,12,14H,4-7,10-11,13H2,1-3H3