[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-[(1R)-1-phenylethyl]-2-aziridinyl]methyl ester IUPAC Name: [(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-1-[(1R)-1-phenylethyl]ethylenimin-2-yl]methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN2C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CN2[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO3S/c1-14-8-10-18(11-9-14)23(20,21)22-13-17-12-19(17)15(2)16-6-4-3-5-7-16/h3-11,15,17H,12-13H2,1-2H3/t15-,17+,19?/m1/s1