[4-chloranyl-2-[[ethylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[ethylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[ethylcarbamoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[ethylcarbamoyl(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[ethylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[ethylcarbamoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H24ClFN2O5S MolecularWeight: 470.942063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1CCCO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=O)N(CC1CCCO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24ClFN2O5S/c1-2-24-21(26)25(14-18-4-3-11-29-18)13-15-12-16(22)5-10-20(15)30-31(27,28)19-8-6-17(23)7-9-19/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,24,26)