2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]acetic acid Formula: C14H18N2O5S2 MolecularWeight: 358.43312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CSCC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O5S2/c17-13(10-22-11-14(18)19)15-6-8-16(9-7-15)23(20,21)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)