[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C20H20BrFN2O5S MolecularWeight: 499.350603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C20H20BrFN2O5S/c21-17-5-1-2-6-18(17)23-19(25)13-29-20(26)14-4-3-11-24(12-14)30(27,28)16-9-7-15(22)8-10-16/h1-2,5-10,14H,3-4,11-13H2,(H,23,25)