phenacyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: phenacyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: phenacyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propionic acid phenacyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H25NO5S/c1-15(20(24)27-14-19(23)16-8-6-5-7-9-16)22-28(25,26)18-12-10-17(11-13-18)21(2,3)4/h5-13,15,22H,14H2,1-4H3/t15-/m0/s1