14-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]tetradecyl methanesulfonate

Systemtic Name: 14-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]tetradecyl methanesulfonate Openeye Name: 14-[[6-(4-isobutylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl methanesulfonate CAS Name: methanesulfonic acid 14-[[[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]-oxomethyl]amino]tetradecyl ester IUPAC Name: 14-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carbonyl]amino]tetradecyl methanesulfonate Traditional Name: methanesulfonic acid 14-[[6-(4-isobutylpiperazino)nicotinoyl]amino]tetradecyl ester Formula: C29H52N4O4S MolecularWeight: 552.81258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52N4O4S/c1-26(2)25-32-19-21-33(22-20-32)28-17-16-27(24-31-28)29(34)30-18-14-12-10-8-6-4-5-7-9-11-13-15-23-37-38(3,35)36/h16-17,24,26H,4-15,18-23,25H2,1-3H3,(H,30,34)