3-[4-[2-[[4-(4-chlorophenyl)sulfinylphenyl]methylsulfinyl]ethanoyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-[[4-(4-chlorophenyl)sulfinylphenyl]methylsulfinyl]ethanoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-[[4-(4-chlorophenyl)sulfinylphenyl]methylsulfinyl]acetyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-[[4-(4-chlorophenyl)sulfinylphenyl]methylsulfinyl]-1-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-[[4-(4-chlorophenyl)sulfinylphenyl]methylsulfinyl]acetyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-[4-(4-chlorophenyl)sulfinylbenzyl]sulfinylacetyl]piperazino]propionic acid Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)CS(=O)CC2=CC=C(C=C2)S(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CS(=O)CC2=CC=C(C=C2)S(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O5S2/c23-18-3-7-20(8-4-18)32(30)19-5-1-17(2-6-19)15-31(29)16-21(26)25-13-11-24(12-14-25)10-9-22(27)28/h1-8H,9-16H2,(H,27,28)