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

Systemtic Name: [4-[[(4-fluorophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ester Formula: C22H21F2NO5S2 MolecularWeight: 481.532646

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H21F2NO5S2/c1-16(2)25(31(26,27)21-11-5-18(23)6-12-21)15-17-3-9-20(10-4-17)30-32(28,29)22-13-7-19(24)8-14-22/h3-14,16H,15H2,1-2H3