[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O5S/c23-16-5-7-17(8-6-16)31(28,29)25-11-9-15(10-12-25)22(27)30-14-21(26)19-13-24-20-4-2-1-3-18(19)20/h1-8,13,15,24H,9-12,14H2