[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H22FNO5S2 MolecularWeight: 439.520783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H22FNO5S2/c21-17-7-5-15(6-8-17)18(23)3-1-13-27-20(24)16-9-11-22(12-10-16)29(25,26)19-4-2-14-28-19/h2,4-8,14,16H,1,3,9-13H2