[3-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[3-methylbutanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(3-methyl-1-oxobutyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isovaleryl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2CCCO2)C(=O)CC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2CCCO2)C(=O)CC(C)C

InChI

InChI=1S/C19H29NO5S/c1-4-26(22,23)25-17-8-5-7-16(12-17)13-20(19(21)11-15(2)3)14-18-9-6-10-24-18/h5,7-8,12,15,18H,4,6,9-11,13-14H2,1-3H3