[2-methoxy-5-[[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropylcarbamoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-oxolanylmethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isopropylcarbamoyl(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H29FN2O6S MolecularWeight: 480.549563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O6S/c1-16(2)25-23(27)26(15-19-5-4-12-31-19)14-17-6-11-21(30-3)22(13-17)32-33(28,29)20-9-7-18(24)8-10-20/h6-11,13,16,19H,4-5,12,14-15H2,1-3H3,(H,25,27)