[2-methyl-5-(2-oxidanylidene-3-pyridin-4-yl-imidazolidin-1-yl)pentyl] 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CCCN2CCN(C2=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CCCN2CCN(C2=O)C3=CC=NC=C3

InChI

InChI=1S/C21H27N3O4S/c1-17-5-7-20(8-6-17)29(26,27)28-16-18(2)4-3-13-23-14-15-24(21(23)25)19-9-11-22-12-10-19/h5-12,18H,3-4,13-16H2,1-2H3