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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CCC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C33H60N4O4S/c1-4-30(2)36-24-26-37(27-25-36)32-22-21-31(29-35-32)33(38)34-23-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-28-41-42(3,39)40/h21-22,29-30H,4-20,23-28H2,1-3H3,(H,34,38)