1-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,3-dione

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,3-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]butane-1,3-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]butane-1,3-dione Traditional Name: 1-(4-besylpiperazino)butane-1,3-dione Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O4S/c1-12(17)11-14(18)15-7-9-16(10-8-15)21(19,20)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3