2-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(4-chlorobenzoyl)piperazino]-2-keto-ethyl]thio]acetic acid Formula: C15H17ClN2O4S MolecularWeight: 356.82448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H17ClN2O4S/c16-12-3-1-11(2-4-12)15(22)18-7-5-17(6-8-18)13(19)9-23-10-14(20)21/h1-4H,5-10H2,(H,20,21)