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

Systemtic Name: [4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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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=C4OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H28N2O5S/c1-19-8-9-20(2)25(18-19)34(30,31)33-22-12-10-21(11-13-22)26(29)28-16-14-27(15-17-28)23-6-4-5-7-24(23)32-3/h4-13,18H,14-17H2,1-3H3