phenyl (2S,3R)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-aziridine-2-carboxylate

Systemtic Name: phenyl (2S,3R)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-aziridine-2-carboxylate Openeye Name: phenyl (2S,3R)-3-(4-chlorophenyl)-1-(p-tolylsulfonyl)aziridine-2-carboxylate CAS Name: (2S,3R)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2-aziridinecarboxylic acid phenyl ester IUPAC Name: phenyl (2S,3R)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate Traditional Name: (2S,3R)-3-(4-chlorophenyl)-1-tosyl-ethylenimine-2-carboxylic acid phenyl ester Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C2C(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]2C(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClNO4S/c1-15-7-13-19(14-8-15)29(26,27)24-20(16-9-11-17(23)12-10-16)21(24)22(25)28-18-5-3-2-4-6-18/h2-14,20-21H,1H3/t20-,21+,24?/m1/s1