[4-chloranyl-2-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[2-methoxyethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[isovaleryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C17H26ClNO5S MolecularWeight: 391.91004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO5S/c1-5-25(21,22)24-16-7-6-15(18)11-14(16)12-19(8-9-23-4)17(20)10-13(2)3/h6-7,11,13H,5,8-10,12H2,1-4H3