16-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl 4-methylbenzenesulfonate

Systemtic Name: 16-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl 4-methylbenzenesulfonate Openeye Name: 16-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 16-[[oxo-[6-(4-propyl-1-piperazinyl)-3-pyridinyl]methyl]amino]hexadecyl ester IUPAC Name: 16-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 16-[[6-(4-propylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C36H58N4O4S MolecularWeight: 642.93512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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