18-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]octadecyl methanesulfonate

Systemtic Name: 18-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]octadecyl methanesulfonate Openeye Name: 18-[[6-(4-isobutylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate CAS Name: methanesulfonic acid 18-[[[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]-oxomethyl]amino]octadecyl ester IUPAC Name: 18-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carbonyl]amino]octadecyl methanesulfonate Traditional Name: methanesulfonic acid 18-[[6-(4-isobutylpiperazino)nicotinoyl]amino]octadecyl ester Formula: C33H60N4O4S MolecularWeight: 608.9189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60N4O4S/c1-30(2)29-36-23-25-37(26-24-36)32-21-20-31(28-35-32)33(38)34-22-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-27-41-42(3,39)40/h20-21,28,30H,4-19,22-27,29H2,1-3H3,(H,34,38)