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

Systemtic Name: [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)aziridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-3-(benzyloxymethyl)-1-(p-tolylsulfonyl)aziridin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)-2-aziridinyl]methyl ester IUPAC Name: [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)aziridin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-(benzoxymethyl)-1-tosyl-ethylenimin-2-yl]methyl ester Formula: C25H27NO6S2 MolecularWeight: 501.61498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C2COS(=O)(=O)C3=CC=C(C=C3)C)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H]2COS(=O)(=O)C3=CC=C(C=C3)C)COCC4=CC=CC=C4

InChI

InChI=1S/C25H27NO6S2/c1-19-8-12-22(13-9-19)33(27,28)26-24(17-31-16-21-6-4-3-5-7-21)25(26)18-32-34(29,30)23-14-10-20(2)11-15-23/h3-15,24-25H,16-18H2,1-2H3/t24-,25+,26?/m1/s1