[4-[[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-chlorophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-chlorophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C23H23ClFNO5S2 MolecularWeight: 512.013823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFNO5S2/c1-17(2)15-26(32(27,28)22-11-5-19(24)6-12-22)16-18-3-9-21(10-4-18)31-33(29,30)23-13-7-20(25)8-14-23/h3-14,17H,15-16H2,1-2H3