15-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]pentadecyl methanesulfonate

Systemtic Name: 15-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]pentadecyl methanesulfonate Openeye Name: 15-[[6-(4-isobutylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl methanesulfonate CAS Name: methanesulfonic acid 15-[[[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]-oxomethyl]amino]pentadecyl ester IUPAC Name: 15-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carbonyl]amino]pentadecyl methanesulfonate Traditional Name: methanesulfonic acid 15-[[6-(4-isobutylpiperazino)nicotinoyl]amino]pentadecyl ester Formula: C30H54N4O4S MolecularWeight: 566.83916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54N4O4S/c1-27(2)26-33-20-22-34(23-21-33)29-18-17-28(25-32-29)30(35)31-19-15-13-11-9-7-5-4-6-8-10-12-14-16-24-38-39(3,36)37/h17-18,25,27H,4-16,19-24,26H2,1-3H3,(H,31,35)