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

Systemtic Name: 3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[3-[[4-(3,4-dichlorophenyl)-1-piperazinyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[3-[4-(3,4-dichlorophenyl)piperazino]sulfonylphenyl]propionic acid Formula: C19H20Cl2N2O4S MolecularWeight: 443.3441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N2O4S/c20-17-6-5-15(13-18(17)21)22-8-10-23(11-9-22)28(26,27)16-3-1-2-14(12-16)4-7-19(24)25/h1-3,5-6,12-13H,4,7-11H2,(H,24,25)