15-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl 4-methylbenzenesulfonate

Systemtic Name: 15-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl 4-methylbenzenesulfonate Openeye Name: 15-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 15-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]pentadecyl ester IUPAC Name: 15-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 15-[[6-(4-ethylpiperazino)nicotinoyl]amino]pentadecyl ester Formula: C34H54N4O4S MolecularWeight: 614.88196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54N4O4S/c1-3-37-24-26-38(27-25-37)33-22-19-31(29-36-33)34(39)35-23-15-13-11-9-7-5-4-6-8-10-12-14-16-28-42-43(40,41)32-20-17-30(2)18-21-32/h17-22,29H,3-16,23-28H2,1-2H3,(H,35,39)