17-[[6-(4-butan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl methanesulfonate

Systemtic Name: 17-[[6-(4-butan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl methanesulfonate Openeye Name: 17-[[6-(4-sec-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl methanesulfonate CAS Name: methanesulfonic acid 17-[[[6-(4-butan-2-yl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl methanesulfonate Traditional Name: methanesulfonic acid 17-[[6-(4-sec-butylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C32H58N4O4S MolecularWeight: 594.89232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58N4O4S/c1-4-29(2)35-23-25-36(26-24-35)31-21-20-30(28-34-31)32(37)33-22-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-27-40-41(3,38)39/h20-21,28-29H,4-19,22-27H2,1-3H3,(H,33,37)