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18-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl 4-methylbenzenesulfonate

18-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl 4-methylbenzenesulfonate

Systemtic Name:18-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl 4-methylbenzenesulfonate
Openeye Name:18-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid 18-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]octadecyl ester
IUPAC Name:18-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid 18-[[6-(4-ethylpiperazino)nicotinoyl]amino]octadecyl ester
Formula: C37H60N4O4S
MolecularWeight: 656.9617
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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C


Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C


InChI

InChI=1S/C37H60N4O4S/c1-3-40-27-29-41(30-28-40)36-25-22-34(32-39-36)37(42)38-26-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-31-45-46(43,44)35-23-20-33(2)21-24-35/h20-25,32H,3-19,26-31H2,1-2H3,(H,38,42)


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