6-(2-oxidanylidene-3-pyridin-4-yl-imidazolidin-1-yl)hexan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 6-(2-oxidanylidene-3-pyridin-4-yl-imidazolidin-1-yl)hexan-2-yl 4-methylbenzenesulfonate Openeye Name: [1-methyl-5-[2-oxo-3-(4-pyridyl)imidazolidin-1-yl]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-(2-oxo-3-pyridin-4-yl-1-imidazolidinyl)hexan-2-yl ester IUPAC Name: 6-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)hexan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[2-keto-3-(4-pyridyl)imidazolidin-1-yl]-1-methyl-pentyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCCCN2CCN(C2=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCCCN2CCN(C2=O)C3=CC=NC=C3

InChI

InChI=1S/C21H27N3O4S/c1-17-6-8-20(9-7-17)29(26,27)28-18(2)5-3-4-14-23-15-16-24(21(23)25)19-10-12-22-13-11-19/h6-13,18H,3-5,14-16H2,1-2H3