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

Systemtic Name: [2,2-dimethyl-5-(2-oxidanylidene-3-pyridin-4-yl-imidazolidin-1-yl)pentyl] 4-methylbenzenesulfonate Openeye Name: [2,2-dimethyl-5-[2-oxo-3-(4-pyridyl)imidazolidin-1-yl]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-5-(2-oxo-3-pyridin-4-yl-1-imidazolidinyl)pentyl] ester IUPAC Name: [2,2-dimethyl-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]-2,2-dimethyl-pentyl] ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-18-5-7-20(8-6-18)30(27,28)29-17-22(2,3)11-4-14-24-15-16-25(21(24)26)19-9-12-23-13-10-19/h5-10,12-13H,4,11,14-17H2,1-3H3