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

Systemtic Name: 15-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl 4-methylbenzenesulfonate Openeye Name: 15-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 15-[[[6-(4-butyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]pentadecyl ester IUPAC Name: 15-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 15-[[6-(4-butylpiperazino)nicotinoyl]amino]pentadecyl ester Formula: C36H58N4O4S MolecularWeight: 642.93512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H58N4O4S/c1-3-4-25-39-26-28-40(29-27-39)35-23-20-33(31-38-35)36(41)37-24-16-14-12-10-8-6-5-7-9-11-13-15-17-30-44-45(42,43)34-21-18-32(2)19-22-34/h18-23,31H,3-17,24-30H2,1-2H3,(H,37,41)