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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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