[4-[4-(3-methylphenyl)piperazin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[4-(3-methylphenyl)piperazin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[4-(m-tolyl)piperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[4-(m-tolyl)piperazine-1-carbonyl]phenyl] ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H28N2O4S/c1-19-5-4-6-23(17-19)27-13-15-28(16-14-27)26(29)22-9-11-24(12-10-22)32-33(30,31)25-18-20(2)7-8-21(25)3/h4-12,17-18H,13-16H2,1-3H3