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

Systemtic Name: [4-chloranyl-2-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[3,3-dimethylbutanoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[(3,3-dimethyl-1-oxobutyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[3,3-dimethylbutanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H26ClNO5S MolecularWeight: 427.94214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClNO5S/c1-5-28(24,25)27-18-9-8-16(21)11-15(18)13-22(14-17-7-6-10-26-17)19(23)12-20(2,3)4/h6-11H,5,12-14H2,1-4H3