[4-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-(2-hydroxyphenyl)-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C25H26N2O5S/c1-18-7-8-19(2)24(17-18)33(30,31)32-21-11-9-20(10-12-21)25(29)27-15-13-26(14-16-27)22-5-3-4-6-23(22)28/h3-12,17,28H,13-16H2,1-2H3