ethyl 4-[4-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H23FN4O5S MolecularWeight: 486.515923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O5S/c1-2-33-23(30)17-5-9-19(10-6-17)34(31,32)28-13-11-27(12-14-28)22(29)21-15-20(25-26-21)16-3-7-18(24)8-4-16/h3-10,15H,2,11-14H2,1H3,(H,25,26)