4-chloranyl-N-(3-ethynylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(3-ethynylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 4-chloro-N-(3-ethynylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: 4-chloro-N-(3-ethynylphenyl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-chloro-N-(3-ethynylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-chloro-N-(3-ethynylphenyl)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzamide Formula: C25H21ClFN3O3S MolecularWeight: 497.968943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21ClFN3O3S/c1-2-18-4-3-5-21(16-18)28-25(31)19-6-11-23(26)24(17-19)34(32,33)30-14-12-29(13-15-30)22-9-7-20(27)8-10-22/h1,3-11,16-17H,12-15H2,(H,28,31)