3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-N-(4-propan-2-ylphenyl)benzamide

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-N-(4-propan-2-ylphenyl)benzamide Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(4-isopropylphenyl)benzamide CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(4-propan-2-ylphenyl)benzamide Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-4-fluoro-N-p-cumenyl-benzamide Formula: C28H32FN3O3S MolecularWeight: 509.635383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)C(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)C(C)C)F

InChI

InChI=1S/C28H32FN3O3S/c1-19(2)22-7-10-24(11-8-22)30-28(33)23-9-12-25(29)27(18-23)36(34,35)32-15-13-31(14-16-32)26-17-20(3)5-6-21(26)4/h5-12,17-19H,13-16H2,1-4H3,(H,30,33)