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

Systemtic Name: [4-chloranyl-2-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[2-furylmethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[2-furanylmethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[2-furfuryl(isovaleryl)amino]methyl]phenyl] ester Formula: C19H24ClNO5S MolecularWeight: 413.91556

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClNO5S/c1-4-27(23,24)26-18-8-7-16(20)11-15(18)12-21(19(22)10-14(2)3)13-17-6-5-9-25-17/h5-9,11,14H,4,10,12-13H2,1-3H3