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

Systemtic Name: [4-[[phenylsulfonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[benzenesulfonyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[benzenesulfonyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzenesulfonyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[besyl(isopropyl)amino]methyl]phenyl] ester Formula: C22H22FNO5S2 MolecularWeight: 463.542183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO5S2/c1-17(2)24(30(25,26)21-6-4-3-5-7-21)16-18-8-12-20(13-9-18)29-31(27,28)22-14-10-19(23)11-15-22/h3-15,17H,16H2,1-2H3