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

Systemtic Name: [4-(4-phenylpiperazin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(4-phenylpiperazine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl] ester IUPAC Name: [4-(4-phenylpiperazine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(4-phenylpiperazine-1-carbonyl)phenyl] ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S/c1-19-8-9-20(2)24(18-19)32(29,30)31-23-12-10-21(11-13-23)25(28)27-16-14-26(15-17-27)22-6-4-3-5-7-22/h3-13,18H,14-17H2,1-2H3