ethyl 4-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C18H23FN4O4S MolecularWeight: 410.463023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H23FN4O4S/c1-4-27-18(24)21-9-11-22(12-10-21)28(25,26)17-13(2)20-23(14(17)3)16-7-5-15(19)6-8-16/h5-8H,4,9-12H2,1-3H3