3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]thio]propionic acid Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCCC(=O)O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CSCCC(=O)O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O5S2/c19-15(12-24-11-6-16(20)21)17-7-9-18(10-8-17)25(22,23)13-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,20,21)