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

Systemtic Name: phenacyl 4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate Openeye Name: phenacyl 4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate CAS Name: 4-[methyl-(4-nitrophenyl)sulfonylamino]butanoic acid phenacyl ester IUPAC Name: phenacyl 4-[methyl-(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[methyl(nosyl)amino]butyric acid phenacyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-20(29(26,27)17-11-9-16(10-12-17)21(24)25)13-5-8-19(23)28-14-18(22)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3