ethyl 2-[4-[(1-ethynylcyclohexyl)sulfamoyl]-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[(1-ethynylcyclohexyl)sulfamoyl]-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[(1-ethynylcyclohexyl)sulfamoyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(1-ethynylcyclohexyl)sulfamoyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(1-ethynylcyclohexyl)sulfamoyl]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-[(1-ethynylcyclohexyl)sulfamoyl]-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2(CCCCC2)C#C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2(CCCCC2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O6S2/c1-3-18(10-6-5-7-11-18)19-28(24,25)14-8-9-16(15(12-14)20(22)23)27-13-17(21)26-4-2/h1,8-9,12,19H,4-7,10-11,13H2,2H3