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

Systemtic Name: [3-[[(4-methoxyphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C23H24FNO6S2 MolecularWeight: 493.568163

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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)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO6S2/c1-17(2)25(32(26,27)22-13-9-20(30-3)10-14-22)16-18-5-4-6-21(15-18)31-33(28,29)23-11-7-19(24)8-12-23/h4-15,17H,16H2,1-3H3