1-(4-ethoxycarbonyl-1,2,5-trimethyl-pyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-ethoxycarbonyl-1,2,5-trimethyl-pyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-ethoxycarbonyl-1,2,5-trimethyl-pyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxycarbonyl-1,2,5-trimethyl-3-pyrrolyl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-ethoxycarbonyl-1,2,5-trimethylpyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(4-carbethoxy-1,2,5-trimethyl-pyrrol-3-yl)sulfonylnipecotic acid Formula: C16H24N2O6S MolecularWeight: 372.43656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)O)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)O)C)C)C

InChI

InChI=1S/C16H24N2O6S/c1-5-24-16(21)13-10(2)17(4)11(3)14(13)25(22,23)18-8-6-7-12(9-18)15(19)20/h12H,5-9H2,1-4H3,(H,19,20)