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

Systemtic Name: [2-methoxy-5-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[(3-methyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H31NO5S MolecularWeight: 385.51814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO5S/c1-7-26(22,23)25-18-11-16(8-9-17(18)24-6)13-20(12-15(4)5)19(21)10-14(2)3/h8-9,11,14-15H,7,10,12-13H2,1-6H3