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

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

Systemtic Name:1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylic acid
Openeye Name:1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylic acid
CAS Name:1-[4-(diethylsulfamoyl)-2-nitrophenyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[4-(diethylsulfamoyl)-2-nitrophenyl]piperidine-4-carboxylic acid
Traditional Name:1-[4-(diethylsulfamoyl)-2-nitro-phenyl]isonipecotic acid
Formula: C16H23N3O6S
MolecularWeight: 385.43532
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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)


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