methyl 3-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]sulfanylpropanoate CAS Name: 3-[[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitrophenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitrophenyl]sulfanylpropanoate Traditional Name: 3-[[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]thio]propionic acid methyl ester Formula: C17H24N2O6S2 MolecularWeight: 416.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O6S2/c1-12-3-5-13(6-4-12)18-27(23,24)14-7-8-16(15(11-14)19(21)22)26-10-9-17(20)25-2/h7-8,11-13,18H,3-6,9-10H2,1-2H3