(3-phenyl-1,2-oxazol-5-yl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (3-phenylisoxazol-5-yl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (3-phenylisoxazol-5-yl)methyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-14(2)20(24-30(26,27)18-10-6-9-16(22)11-18)21(25)28-13-17-12-19(23-29-17)15-7-4-3-5-8-15/h3-12,14,20,24H,13H2,1-2H3/t20-/m0/s1