2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-oxo-3-(phenylthio)propyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(phenylthio)propanoyl]piperazino]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CCSC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CCSC2=CC=CC=C2

InChI

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