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1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylic acid

1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylic acid

Systemtic Name:1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylic acid
Openeye Name:1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylic acid
CAS Name:1-(4-methylsulfonyl-2-nitrophenyl)-3-piperidinecarboxylic acid
IUPAC Name:1-(4-methylsulfonyl-2-nitrophenyl)piperidine-3-carboxylic acid
Traditional Name:1-(4-mesyl-2-nitro-phenyl)nipecotic acid
Formula: C13H16N2O6S
MolecularWeight: 328.34094
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C13H16N2O6S/c1-22(20,21)10-4-5-11(12(7-10)15(18)19)14-6-2-3-9(8-14)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)


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