(phenylmethyl) (2S,3S)-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-(phenylmethyl)azetidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S)-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-(phenylmethyl)azetidine-2-carboxylate Openeye Name: benzyl (2S,3S)-3-benzyl-4-oxo-1-(p-tolylsulfonyl)azetidine-2-carboxylate CAS Name: (2S,3S)-1-(4-methylphenyl)sulfonyl-4-oxo-3-(phenylmethyl)-2-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-benzyl-1-(4-methylphenyl)sulfonyl-4-oxoazetidine-2-carboxylate Traditional Name: (2S,3S)-3-benzyl-4-keto-1-tosyl-azetidine-2-carboxylic acid benzyl ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H](C2=O)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S/c1-18-12-14-21(15-13-18)32(29,30)26-23(25(28)31-17-20-10-6-3-7-11-20)22(24(26)27)16-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3/t22-,23-/m0/s1