3-methylsulfonyl-5-nitro-4-piperidin-1-yl-benzoic acid

Systemtic Name: 3-methylsulfonyl-5-nitro-4-piperidin-1-yl-benzoic acid Openeye Name: 3-methylsulfonyl-5-nitro-4-(1-piperidyl)benzoic acid CAS Name: 3-methylsulfonyl-5-nitro-4-(1-piperidinyl)benzoic acid IUPAC Name: 3-methylsulfonyl-5-nitro-4-piperidin-1-ylbenzoic acid Traditional Name: 3-mesyl-5-nitro-4-piperidino-benzoic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1N2CCCCC2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1N2CCCCC2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O6S/c1-22(20,21)11-8-9(13(16)17)7-10(15(18)19)12(11)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3,(H,16,17)