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

Systemtic Name: 1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: 1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-(diethylsulfamoyl)-2-nitrophenyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(diethylsulfamoyl)-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-(diethylsulfamoyl)-2-nitro-phenyl]isonipecotate Formula: C16H22N3O6S- MolecularWeight: 384.42738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-3-18(4-2)26(24,25)13-5-6-14(15(11-13)19(22)23)17-9-7-12(8-10-17)16(20)21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,21)/p-1