2-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-chloro-5-(methylthio)benzoyl]piperazino]acetic acid Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C14H17ClN2O3S/c1-21-10-2-3-12(15)11(8-10)14(20)17-6-4-16(5-7-17)9-13(18)19/h2-3,8H,4-7,9H2,1H3,(H,18,19)