4-[2-[(8-chloranyldibenzofuran-2-yl)methylsulfanyl]ethanoyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[(8-chloranyldibenzofuran-2-yl)methylsulfanyl]ethanoyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[(8-chlorodibenzofuran-2-yl)methylsulfanyl]acetyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[(8-chloro-2-dibenzofuranyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[(8-chlorodibenzofuran-2-yl)methylsulfanyl]acetyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[(8-chlorodibenzofuran-2-yl)methylthio]acetyl]piperazine-1-carboxylic acid Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC3=C(C=C2)OC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC3=C(C=C2)OC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H19ClN2O4S/c21-14-2-4-18-16(10-14)15-9-13(1-3-17(15)27-18)11-28-12-19(24)22-5-7-23(8-6-22)20(25)26/h1-4,9-10H,5-8,11-12H2,(H,25,26)