[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl] ester Formula: C25H25FN2O6S2 MolecularWeight: 532.604203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O6S2/c1-18-3-4-19(2)24(17-18)36(32,33)34-22-9-5-20(6-10-22)25(29)27-13-15-28(16-14-27)35(30,31)23-11-7-21(26)8-12-23/h3-12,17H,13-16H2,1-2H3