1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-5-thiophen-2-yl-pentane-1,5-dione

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-5-thiophen-2-yl-pentane-1,5-dione Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-5-(2-thienyl)pentane-1,5-dione CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-5-thiophen-2-ylpentane-1,5-dione IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-5-thiophen-2-ylpentane-1,5-dione Traditional Name: 1-(4-benzylsulfonylpiperazino)-5-(2-thienyl)pentane-1,5-dione Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC(=O)C2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCCC(=O)C2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c23-18(19-9-5-15-27-19)8-4-10-20(24)21-11-13-22(14-12-21)28(25,26)16-17-6-2-1-3-7-17/h1-3,5-7,9,15H,4,8,10-14,16H2