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

Systemtic Name: [4-chloranyl-2-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[isobutyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[(2-methyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[isobutyl(isobutyryl)amino]methyl]phenyl] ester Formula: C17H26ClNO4S MolecularWeight: 375.91064

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO4S/c1-6-24(21,22)23-16-8-7-15(18)9-14(16)11-19(10-12(2)3)17(20)13(4)5/h7-9,12-13H,6,10-11H2,1-5H3