[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C20H23FN2O5S2 MolecularWeight: 454.535423

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O5S2/c1-22(13-17-5-3-11-29-17)19(24)14-28-20(25)15-4-2-10-23(12-15)30(26,27)18-8-6-16(21)7-9-18/h3,5-9,11,15H,2,4,10,12-14H2,1H3