[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C22H21FN4O5S MolecularWeight: 472.489343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CN=CN2C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CN=CN2C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21FN4O5S/c23-17-6-8-18(9-7-17)27-16-24-14-20(27)22(29)32-15-21(28)25-10-12-26(13-11-25)33(30,31)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2