methyl 4-(azocan-1-ylsulfonyl)-3-nitro-benzoate

Systemtic Name: methyl 4-(azocan-1-ylsulfonyl)-3-nitro-benzoate Openeye Name: methyl 4-(azocan-1-ylsulfonyl)-3-nitro-benzoate CAS Name: 4-(1-azocanylsulfonyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(azocan-1-ylsulfonyl)-3-nitrobenzoate Traditional Name: 4-(azocan-1-ylsulfonyl)-3-nitro-benzoic acid methyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S/c1-23-15(18)12-7-8-14(13(11-12)17(19)20)24(21,22)16-9-5-3-2-4-6-10-16/h7-8,11H,2-6,9-10H2,1H3