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

Systemtic Name: 1-[3-[(2-ethylphenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[3-[(2-ethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[3-[(2-ethylanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[(2-ethylphenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[3-[(2-ethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylnipecotic acid Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O)F

InChI

InChI=1S/C21H23FN2O5S/c1-2-14-6-3-4-8-19(14)23-20(25)17-12-16(9-10-18(17)22)30(28,29)24-11-5-7-15(13-24)21(26)27/h3-4,6,8-10,12,15H,2,5,7,11,13H2,1H3,(H,23,25)(H,26,27)