(2R,5R)-2-tert-butyl-3-methyl-5-(phenylmethyl)imidazolidin-4-one; 4-methylbenzenesulfonic acid

Systemtic Name: (2R,5R)-2-tert-butyl-3-methyl-5-(phenylmethyl)imidazolidin-4-one; 4-methylbenzenesulfonic acid Openeye Name: (2R,5R)-5-benzyl-2-tert-butyl-3-methyl-imidazolidin-4-one; 4-methylbenzenesulfonic acid CAS Name: (2R,5R)-2-tert-butyl-3-methyl-5-(phenylmethyl)-4-imidazolidinone; 4-methylbenzenesulfonic acid IUPAC Name: (2R,5R)-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one; 4-methylbenzenesulfonic acid Traditional Name: (2R,5R)-5-benzyl-2-tert-butyl-3-methyl-4-imidazolidinone; tosylic acid Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)C1NC(C(=O)N1C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)[C@@H]1N[C@@H](C(=O)N1C)CC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O.C7H8O3S/c1-15(2,3)14-16-12(13(18)17(14)4)10-11-8-6-5-7-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,12,14,16H,10H2,1-4H3;2-5H,1H3,(H,8,9,10)/t12-,14-;/m1./s1