4-[4-[2-(2,4-dichlorophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-[2-(2,4-dichlorophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-[2-(2,4-dichlorophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-[2-(2,4-dichlorophenyl)acetyl]piperazino]sulfonylbenzoic acid Formula: C19H18Cl2N2O5S MolecularWeight: 457.32762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18Cl2N2O5S/c20-15-4-1-14(17(21)12-15)11-18(24)22-7-9-23(10-8-22)29(27,28)16-5-2-13(3-6-16)19(25)26/h1-6,12H,7-11H2,(H,25,26)