[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone Openeye Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-[4-(2-phenylethynyl)phenyl]methanone IUPAC Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone Traditional Name: [4-(4-fluorophenyl)sulfonylpiperazino]-[4-(2-phenylethynyl)phenyl]methanone Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O3S/c26-23-12-14-24(15-13-23)32(30,31)28-18-16-27(17-19-28)25(29)22-10-8-21(9-11-22)7-6-20-4-2-1-3-5-20/h1-5,8-15H,16-19H2