[3-(4-acridin-9-ylcarbonylpiperazin-1-yl)phenyl] methanesulfonate

Systemtic Name: [3-(4-acridin-9-ylcarbonylpiperazin-1-yl)phenyl] methanesulfonate Openeye Name: [3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[4-[9-acridinyl(oxo)methyl]-1-piperazinyl]phenyl] ester IUPAC Name: [3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[4-(acridine-9-carbonyl)piperazino]phenyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53

InChI

InChI=1S/C25H23N3O4S/c1-33(30,31)32-19-8-6-7-18(17-19)27-13-15-28(16-14-27)25(29)24-20-9-2-4-11-22(20)26-23-12-5-3-10-21(23)24/h2-12,17H,13-16H2,1H3