phenacyl (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate

Systemtic Name: phenacyl (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate Openeye Name: phenacyl (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate CAS Name: (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonylamino]butanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[methyl(nosyl)amino]butyric acid phenacyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-14(2)19(20(24)29-13-18(23)15-7-5-4-6-8-15)21(3)30(27,28)17-11-9-16(10-12-17)22(25)26/h4-12,14,19H,13H2,1-3H3/t19-/m0/s1