17-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]heptadecyl methanesulfonate

Systemtic Name: 17-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]heptadecyl methanesulfonate Openeye Name: 17-[[6-(4-isobutylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl methanesulfonate CAS Name: methanesulfonic acid 17-[[[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]-oxomethyl]amino]heptadecyl ester IUPAC Name: 17-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carbonyl]amino]heptadecyl methanesulfonate Traditional Name: methanesulfonic acid 17-[[6-(4-isobutylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C32H58N4O4S MolecularWeight: 594.89232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C32H58N4O4S/c1-29(2)28-35-22-24-36(25-23-35)31-20-19-30(27-34-31)32(37)33-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26-40-41(3,38)39/h19-20,27,29H,4-18,21-26,28H2,1-3H3,(H,33,37)