(4-ethanoylphenyl) (2S)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: (4-ethanoylphenyl) (2S)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: (4-acetylphenyl) (2S)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2S)-2-benzamido-4-methylsulfonylbutanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2S)-2-benzamido-4-mesyl-butyric acid (4-acetylphenyl) ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO6S/c1-14(22)15-8-10-17(11-9-15)27-20(24)18(12-13-28(2,25)26)21-19(23)16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1