[3-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H25FN2O5S MolecularWeight: 424.486303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H25FN2O5S/c1-15(2)22-20(24)23(11-12-27-3)14-16-5-4-6-18(13-16)28-29(25,26)19-9-7-17(21)8-10-19/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)