2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]ethanoic acid Openeye Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]acetic acid CAS Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]acetic acid IUPAC Name: 2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]acetic acid Traditional Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]acetic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6S/c16-13(17)8-10-4-6-14(7-5-10)22(20,21)12-3-1-2-11(9-12)15(18)19/h1-3,9-10H,4-8H2,(H,16,17)