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

Systemtic Name: [1-propanoyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-yl] methanesulfonate Openeye Name: [1-propanoyl-5-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] methanesulfonate CAS Name: methanesulfonic acid [1-(1-oxopropyl)-5-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] ester IUPAC Name: [1-propanoyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-propionyl-5-[2-[4-(2-pyridyl)piperazino]ethyl]-3,4-dihydro-2H-quinolin-8-yl] ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O4S/c1-3-23(29)28-13-6-7-20-19(9-10-21(24(20)28)32-33(2,30)31)11-14-26-15-17-27(18-16-26)22-8-4-5-12-25-22/h4-5,8-10,12H,3,6-7,11,13-18H2,1-2H3