methyl 1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-(diethylsulfamoyl)-2-nitrophenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(diethylsulfamoyl)-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-(diethylsulfamoyl)-2-nitro-phenyl]isonipecotic acid methyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-4-19(5-2)27(24,25)14-6-7-15(16(12-14)20(22)23)18-10-8-13(9-11-18)17(21)26-3/h6-7,12-13H,4-5,8-11H2,1-3H3