[1-ethanoyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-yl] methanesulfonate

Systemtic Name: [1-ethanoyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-yl] methanesulfonate Openeye Name: [1-acetyl-5-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] methanesulfonate CAS Name: methanesulfonic acid [1-acetyl-5-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] ester IUPAC Name: [1-acetyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-acetyl-5-[2-[4-(2-pyridyl)piperazino]ethyl]-3,4-dihydro-2H-quinolin-8-yl] ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C(C=CC(=C21)OS(=O)(=O)C)CCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(=O)N1CCCC2=C(C=CC(=C21)OS(=O)(=O)C)CCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H30N4O4S/c1-18(28)27-12-5-6-20-19(8-9-21(23(20)27)31-32(2,29)30)10-13-25-14-16-26(17-15-25)22-7-3-4-11-24-22/h3-4,7-9,11H,5-6,10,12-17H2,1-2H3