[(1R)-1-[(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-aziridin-2-yl]prop-2-ynyl] ethanoate

Systemtic Name: [(1R)-1-[(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-aziridin-2-yl]prop-2-ynyl] ethanoate Openeye Name: [(1R)-1-[(2R,3S)-2-methyl-3-phenyl-1-(p-tolylsulfonyl)aziridin-2-yl]prop-2-ynyl] acetate CAS Name: acetic acid [(1R)-1-[(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2-aziridinyl]prop-2-ynyl] ester IUPAC Name: [(1R)-1-[(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]prop-2-ynyl] acetate Traditional Name: acetic acid [(1R)-1-[(2R,3S)-2-methyl-3-phenyl-1-tosyl-ethylenimin-2-yl]prop-2-ynyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C2(C)C(C#C)OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@]2(C)[C@@H](C#C)OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-5-19(26-16(3)23)21(4)20(17-9-7-6-8-10-17)22(21)27(24,25)18-13-11-15(2)12-14-18/h1,6-14,19-20H,2-4H3/t19-,20+,21+,22?/m1/s1