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

Systemtic Name: [(2R,3S)-3-butyl-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-3-butyl-1-(p-tolylsulfonyl)aziridin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-butyl-1-(4-methylphenyl)sulfonyl-2-aziridinyl]methyl ester IUPAC Name: [(2R,3S)-3-butyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-butyl-1-tosyl-ethylenimin-2-yl]methyl ester Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC[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/C21H27NO5S2/c1-4-5-6-20-21(15-27-29(25,26)19-13-9-17(3)10-14-19)22(20)28(23,24)18-11-7-16(2)8-12-18/h7-14,20-21H,4-6,15H2,1-3H3/t20-,21-,22?/m0/s1