ethyl 2-[4-[(2-methylcyclohexyl)carbamoyl]-2-nitro-phenyl]sulfonylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2CCCCC2C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2CCCCC2C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O7S/c1-3-27-17(21)11-28(25,26)16-9-8-13(10-15(16)20(23)24)18(22)19-14-7-5-4-6-12(14)2/h8-10,12,14H,3-7,11H2,1-2H3,(H,19,22)