1-(4-fluorophenyl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-fluorophenyl)butane-1,4-dione CAS Name: 1-(4-fluorophenyl)-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-fluorophenyl)butane-1,4-dione Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-(4-fluorophenyl)butane-1,4-dione Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O4S/c22-19-8-6-18(7-9-19)20(25)10-11-21(26)23-12-14-24(15-13-23)29(27,28)16-17-4-2-1-3-5-17/h1-9H,10-16H2