2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-2-keto-ethyl]thio]acetic acid Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)CSCC(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)CSCC(=O)O

InChI

InChI=1S/C21H23ClN2O3S/c22-18-8-6-17(7-9-18)21(16-4-2-1-3-5-16)24-12-10-23(11-13-24)19(25)14-28-15-20(26)27/h1-9,21H,10-15H2,(H,26,27)