2-[4-[2-(2-chlorophenyl)sulfanylethanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(2-chlorophenyl)sulfanylethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(2-chlorophenyl)sulfanylacetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(2-chlorophenyl)thio]-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(2-chlorophenyl)sulfanylacetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(2-chlorophenyl)thio]acetyl]piperazino]acetic acid Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CSC2=CC=CC=C2Cl

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CSC2=CC=CC=C2Cl

InChI

InChI=1S/C14H17ClN2O3S/c15-11-3-1-2-4-12(11)21-10-13(18)17-7-5-16(6-8-17)9-14(19)20/h1-4H,5-10H2,(H,19,20)