[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-pentyl-aziridin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-pentyl-aziridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-3-pentyl-1-(p-tolylsulfonyl)aziridin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-pentyl-2-aziridinyl]methyl ester IUPAC Name: [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-pentylaziridin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-amyl-1-tosyl-ethylenimin-2-yl]methyl ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC[C@H]1[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H29NO5S2/c1-4-5-6-7-21-22(16-28-30(26,27)20-14-10-18(3)11-15-20)23(21)29(24,25)19-12-8-17(2)9-13-19/h8-15,21-22H,4-7,16H2,1-3H3/t21-,22-,23?/m0/s1