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

Systemtic Name: 14-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl 4-methylbenzenesulfonate Openeye Name: 14-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 14-[[[6-(4-butyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]tetradecyl ester IUPAC Name: 14-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 14-[[6-(4-butylpiperazino)nicotinoyl]amino]tetradecyl ester Formula: C35H56N4O4S MolecularWeight: 628.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N4O4S/c1-3-4-24-38-25-27-39(28-26-38)34-22-19-32(30-37-34)35(40)36-23-15-13-11-9-7-5-6-8-10-12-14-16-29-43-44(41,42)33-20-17-31(2)18-21-33/h17-22,30H,3-16,23-29H2,1-2H3,(H,36,40)