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

Systemtic Name: [4-chloranyl-2-[[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[isopropylcarbamoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-oxolanylmethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[isopropylcarbamoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H26ClFN2O5S MolecularWeight: 484.968643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClFN2O5S/c1-15(2)25-22(27)26(14-19-4-3-11-30-19)13-16-12-17(23)5-10-21(16)31-32(28,29)20-8-6-18(24)7-9-20/h5-10,12,15,19H,3-4,11,13-14H2,1-2H3,(H,25,27)