16-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate

Systemtic Name: 16-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate Openeye Name: 16-[[6-(4-isopropylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate CAS Name: methanesulfonic acid 16-[[oxo-[6-(4-propan-2-yl-1-piperazinyl)-3-pyridinyl]methyl]amino]hexadecyl ester IUPAC Name: 16-[[6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate Traditional Name: methanesulfonic acid 16-[[6-(4-isopropylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C30H54N4O4S MolecularWeight: 566.83916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C30H54N4O4S/c1-27(2)33-21-23-34(24-22-33)29-19-18-28(26-32-29)30(35)31-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-25-38-39(3,36)37/h18-19,26-27H,4-17,20-25H2,1-3H3,(H,31,35)