1-(5-carboxy-1-methyl-pyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-carboxy-1-methyl-pyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(5-carboxy-1-methyl-pyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[(5-carboxy-1-methyl-3-pyrrolyl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-carboxy-1-methylpyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(5-carboxy-1-methyl-pyrrol-3-yl)sulfonylnipecotic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C12H16N2O6S/c1-13-7-9(5-10(13)12(17)18)21(19,20)14-4-2-3-8(6-14)11(15)16/h5,7-8H,2-4,6H2,1H3,(H,15,16)(H,17,18)