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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H23FN2O6S/c1-2-30-17-6-4-16(5-7-17)23-20(25)15-3-8-18(22)19(13-15)31(28,29)24-11-9-14(10-12-24)21(26)27/h3-8,13-14H,2,9-12H2,1H3,(H,23,25)(H,26,27)