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

Systemtic Name: [3-[[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[3,3-dimethylbutanoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S/c1-5-27(23,24)26-17-9-6-8-16(12-17)14-21(15-18-10-7-11-25-18)19(22)13-20(2,3)4/h6,8-9,12,18H,5,7,10-11,13-15H2,1-4H3