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

Systemtic Name: methyl 4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate Openeye Name: methyl 4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate CAS Name: 4-[methyl-(4-nitrophenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[methyl-(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[methyl(nosyl)amino]butyric acid methyl ester Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-13(9-3-4-12(15)20-2)21(18,19)11-7-5-10(6-8-11)14(16)17/h5-8H,3-4,9H2,1-2H3