[2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isovaleryl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H29NO6S MolecularWeight: 387.49096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO6S/c1-6-26(21,22)25-17-12-15(7-8-16(17)24-5)13-19(9-10-23-4)18(20)11-14(2)3/h7-8,12,14H,6,9-11,13H2,1-5H3