(5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H21N3O6S/c1-14(24-31(27,28)19-10-8-17(9-11-19)22-15(2)25)21(26)29-13-18-12-20(30-23-18)16-6-4-3-5-7-16/h3-12,14,24H,13H2,1-2H3,(H,22,25)/t14-/m0/s1