18-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

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