N-(2-fluorophenyl)-4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-fluorophenyl)-4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-fluorophenyl)-4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-fluorophenyl)-4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-fluorophenyl)-4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-fluorophenyl)-4-(4-isovalerylpiperazine-1-carbonyl)benzenesulfonamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O4S/c1-16(2)15-21(27)25-11-13-26(14-12-25)22(28)17-7-9-18(10-8-17)31(29,30)24-20-6-4-3-5-19(20)23/h3-10,16,24H,11-15H2,1-2H3