1-[3-[(4-ethylphenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: 1-[3-[(4-ethylphenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: 1-[3-[(4-ethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[3-[(4-ethylanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-3-piperidinecarboxylate IUPAC Name: 1-[3-[(4-ethylphenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[3-[(4-ethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylnipecotate Formula: C21H22FN2O5S- MolecularWeight: 433.473183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)[O-])F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)[O-])F

InChI

InChI=1S/C21H23FN2O5S/c1-2-14-5-7-16(8-6-14)23-20(25)18-12-17(9-10-19(18)22)30(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)/p-1