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

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O5S/c1-25(2)19-7-5-18(6-8-19)24-21(27)15-31-22(28)16-11-13-26(14-12-16)32(29,30)20-9-3-17(23)4-10-20/h3-10,16H,11-15H2,1-2H3,(H,24,27)