methyl (2R,3S)-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-aziridine-2-carboxylate

Systemtic Name: methyl (2R,3S)-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-aziridine-2-carboxylate Openeye Name: methyl (2R,3S)-3-(4-fluorophenyl)-1-(p-tolylsulfonyl)aziridine-2-carboxylate CAS Name: (2R,3S)-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate Traditional Name: (2R,3S)-3-(4-fluorophenyl)-1-tosyl-ethylenimine-2-carboxylic acid methyl ester Formula: C17H16FNO4S MolecularWeight: 349.376643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C2C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C17H16FNO4S/c1-11-3-9-14(10-4-11)24(21,22)19-15(16(19)17(20)23-2)12-5-7-13(18)8-6-12/h3-10,15-16H,1-2H3/t15-,16+,19?/m0/s1