[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-8-yl] methanesulfonate

Systemtic Name: [5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-8-yl] methanesulfonate Openeye Name: [5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-quinolyl] methanesulfonate CAS Name: methanesulfonic acid [5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-quinolinyl] ester IUPAC Name: [5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-8-quinolyl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC3=C4C=CC=NC4=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC3=C4C=CC=NC4=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H27N3O4S/c1-29-21-8-4-3-7-20(21)26-16-14-25(15-17-26)13-11-18-9-10-22(30-31(2,27)28)23-19(18)6-5-12-24-23/h3-10,12H,11,13-17H2,1-2H3