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

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C18H26ClNO4S MolecularWeight: 387.92134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClNO4S/c1-4-25(22,23)24-17-9-8-16(19)10-15(17)12-20(11-13(2)3)18(21)14-6-5-7-14/h8-10,13-14H,4-7,11-12H2,1-3H3