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

Systemtic Name: 17-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl 4-methylbenzenesulfonate Openeye Name: 17-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 17-[[[6-(4-butyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 17-[[6-(4-butylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C38H62N4O4S MolecularWeight: 670.98828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C38H62N4O4S/c1-3-4-27-41-28-30-42(31-29-41)37-25-22-35(33-40-37)38(43)39-26-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-32-46-47(44,45)36-23-20-34(2)21-24-36/h20-25,33H,3-19,26-32H2,1-2H3,(H,39,43)