14-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl 4-methylbenzenesulfonate

Systemtic Name: 14-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl 4-methylbenzenesulfonate Openeye Name: 14-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 14-[[oxo-[6-(4-propyl-1-piperazinyl)-3-pyridinyl]methyl]amino]tetradecyl ester IUPAC Name: 14-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 14-[[6-(4-propylpiperazino)nicotinoyl]amino]tetradecyl ester Formula: C34H54N4O4S MolecularWeight: 614.88196

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C34H54N4O4S/c1-3-23-37-24-26-38(27-25-37)33-21-18-31(29-36-33)34(39)35-22-14-12-10-8-6-4-5-7-9-11-13-15-28-42-43(40,41)32-19-16-30(2)17-20-32/h16-21,29H,3-15,22-28H2,1-2H3,(H,35,39)