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

Systemtic Name: 17-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl 4-methylbenzenesulfonate Openeye Name: 17-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 17-[[oxo-[6-(4-propyl-1-piperazinyl)-3-pyridinyl]methyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 17-[[6-(4-propylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C37H60N4O4S MolecularWeight: 656.9617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H60N4O4S/c1-3-26-40-27-29-41(30-28-40)36-24-21-34(32-39-36)37(42)38-25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-31-45-46(43,44)35-22-19-33(2)20-23-35/h19-24,32H,3-18,25-31H2,1-2H3,(H,38,42)