[4-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[3,3-dimethylbutanoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(3,3-dimethyl-1-oxobutyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[3,3-dimethylbutanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CC(C)(C)C

InChI

InChI=1S/C20H27NO5S/c1-5-27(23,24)26-17-10-8-16(9-11-17)14-21(15-18-7-6-12-25-18)19(22)13-20(2,3)4/h6-12H,5,13-15H2,1-4H3