ethyl 2-[4-(azepan-1-ylcarbonyl)-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-(azepan-1-ylcarbonyl)-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(azepane-1-carbonyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(azepane-1-carbonyl)-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-(azepane-1-carbonyl)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O7S/c1-2-26-16(20)12-27(24,25)15-8-7-13(11-14(15)19(22)23)17(21)18-9-5-3-4-6-10-18/h7-8,11H,2-6,9-10,12H2,1H3