(5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C22H22ClFN4O4S MolecularWeight: 492.950883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN4O4S/c1-26-20(23)14-25-21(26)15-32-22(29)16-3-2-4-19(13-16)33(30,31)28-11-9-27(10-12-28)18-7-5-17(24)6-8-18/h2-8,13-14H,9-12,15H2,1H3