ethyl 2-[4-(cyclohexylcarbamoyl)-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-(cyclohexylcarbamoyl)-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(cyclohexylcarbamoyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[(cyclohexylamino)-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(cyclohexylcarbamoyl)-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-(cyclohexylcarbamoyl)-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)NC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O7S/c1-2-26-16(20)11-27(24,25)15-9-8-12(10-14(15)19(22)23)17(21)18-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,21)