3-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[3-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[3-[4-(4-chlorophenyl)piperazino]sulfonylphenyl]propionic acid Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C19H21ClN2O4S/c20-16-5-7-17(8-6-16)21-10-12-22(13-11-21)27(25,26)18-3-1-2-15(14-18)4-9-19(23)24/h1-3,5-8,14H,4,9-13H2,(H,23,24)