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

Systemtic Name: [4-[[butan-2-yl(phenylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[benzenesulfonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[benzenesulfonyl(butan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzenesulfonyl(butan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[besyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H24FNO5S2 MolecularWeight: 477.568763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C23H24FNO5S2/c1-3-18(2)25(31(26,27)22-7-5-4-6-8-22)17-19-9-13-21(14-10-19)30-32(28,29)23-15-11-20(24)12-16-23/h4-16,18H,3,17H2,1-2H3