4-(2-methylsulfonylethanoyl)-3-(phenylmethyl)piperazin-2-one

Systemtic Name: 4-(2-methylsulfonylethanoyl)-3-(phenylmethyl)piperazin-2-one Openeye Name: 3-benzyl-4-(2-methylsulfonylacetyl)piperazin-2-one CAS Name: 4-(2-methylsulfonyl-1-oxoethyl)-3-(phenylmethyl)-2-piperazinone IUPAC Name: 3-benzyl-4-(2-methylsulfonylacetyl)piperazin-2-one Traditional Name: 3-benzyl-4-(2-mesylacetyl)piperazin-2-one Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)N1CCNC(=O)C1CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)CC(=O)N1CCNC(=O)C1CC2=CC=CC=C2

InChI

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