1-[5-[(4-ethoxyphenyl)carbamoyl]-2-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[5-[(4-ethoxyphenyl)carbamoyl]-2-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[5-[(4-ethoxyphenyl)carbamoyl]-2-fluoro-phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[5-[(4-ethoxyanilino)-oxomethyl]-2-fluorophenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[5-[(4-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[2-fluoro-5-(p-phenetylcarbamoyl)phenyl]sulfonylnipecotic acid Formula: C21H23FN2O6S MolecularWeight: 450.480523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H23FN2O6S/c1-2-30-17-8-6-16(7-9-17)23-20(25)14-5-10-18(22)19(12-14)31(28,29)24-11-3-4-15(13-24)21(26)27/h5-10,12,15H,2-4,11,13H2,1H3,(H,23,25)(H,26,27)