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

Systemtic Name: [methyl-(4-nitrophenyl)sulfonyl-amino]methyl 4-cyanobenzoate Openeye Name: [methyl-(4-nitrophenyl)sulfonyl-amino]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [methyl-(4-nitrophenyl)sulfonylamino]methyl ester IUPAC Name: [methyl-(4-nitrophenyl)sulfonylamino]methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [methyl(nosyl)amino]methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CN(COC(=O)C1=CC=C(C=C1)C#N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(COC(=O)C1=CC=C(C=C1)C#N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c1-18(11-25-16(20)13-4-2-12(10-17)3-5-13)26(23,24)15-8-6-14(7-9-15)19(21)22/h2-9H,11H2,1H3