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

Systemtic Name: ethyl 2-[4-(cycloheptylcarbamoyl)-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(cycloheptylcarbamoyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[(cycloheptylamino)-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(cycloheptylcarbamoyl)-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-(cycloheptylcarbamoyl)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C18H24N2O7S MolecularWeight: 412.45736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O7S/c1-2-27-17(21)12-28(25,26)16-10-9-13(11-15(16)20(23)24)18(22)19-14-7-5-3-4-6-8-14/h9-11,14H,2-8,12H2,1H3,(H,19,22)