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

Systemtic Name: [(2R,3R)-1-(4-methylphenyl)sulfonyl-3-propyl-aziridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-3-propyl-1-(p-tolylsulfonyl)aziridin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-1-(4-methylphenyl)sulfonyl-3-propyl-2-aziridinyl]methyl ester IUPAC Name: [(2R,3R)-1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-propyl-1-tosyl-ethylenimin-2-yl]methyl ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC[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/C20H25NO5S2/c1-4-5-19-20(14-26-28(24,25)18-12-8-16(3)9-13-18)21(19)27(22,23)17-10-6-15(2)7-11-17/h6-13,19-20H,4-5,14H2,1-3H3/t19-,20+,21?/m1/s1