16-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl 4-methylbenzenesulfonate

Systemtic Name: 16-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl 4-methylbenzenesulfonate Openeye Name: 16-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 16-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]hexadecyl ester IUPAC Name: 16-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 16-[[6-(4-ethylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C35H56N4O4S MolecularWeight: 628.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N4O4S/c1-3-38-25-27-39(28-26-38)34-23-20-32(30-37-34)35(40)36-24-16-14-12-10-8-6-4-5-7-9-11-13-15-17-29-43-44(41,42)33-21-18-31(2)19-22-33/h18-23,30H,3-17,24-29H2,1-2H3,(H,36,40)