17-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl 4-methylbenzenesulfonate

Systemtic Name: 17-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl 4-methylbenzenesulfonate Openeye Name: 17-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 17-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 17-[[6-(4-ethylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C36H58N4O4S MolecularWeight: 642.93512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H58N4O4S/c1-3-39-26-28-40(29-27-39)35-24-21-33(31-38-35)36(41)37-25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-30-44-45(42,43)34-22-19-32(2)20-23-34/h19-24,31H,3-18,25-30H2,1-2H3,(H,37,41)