[3-[[phenylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[phenylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[benzoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[benzoyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[benzoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[benzoyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H22FNO4S MolecularWeight: 427.488483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22FNO4S/c1-17(2)25(23(26)19-8-4-3-5-9-19)16-18-7-6-10-21(15-18)29-30(27,28)22-13-11-20(24)12-14-22/h3-15,17H,16H2,1-2H3