3-[4-(2-phenylsulfanylethanoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-phenylsulfanylethanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(phenylthio)acetyl]piperazino]propionic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3S/c18-14(12-21-13-4-2-1-3-5-13)17-10-8-16(9-11-17)7-6-15(19)20/h1-5H,6-12H2,(H,19,20)