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

Systemtic Name: [3-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methylpropanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(2-methyl-1-oxopropyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyryl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5S/c1-4-25(21,22)24-16-8-5-7-15(11-16)12-19(18(20)14(2)3)13-17-9-6-10-23-17/h5,7-8,11,14,17H,4,6,9-10,12-13H2,1-3H3