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

Systemtic Name: 14-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl 4-methylbenzenesulfonate Openeye Name: 14-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 14-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]tetradecyl ester IUPAC Name: 14-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 14-[[6-(4-ethylpiperazino)nicotinoyl]amino]tetradecyl ester Formula: C33H52N4O4S MolecularWeight: 600.85538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C33H52N4O4S/c1-3-36-23-25-37(26-24-36)32-21-18-30(28-35-32)33(38)34-22-14-12-10-8-6-4-5-7-9-11-13-15-27-41-42(39,40)31-19-16-29(2)17-20-31/h16-21,28H,3-15,22-27H2,1-2H3,(H,34,38)