2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylmethyl]benzoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylmethyl]benzoic acid Openeye Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylmethyl]benzoic acid CAS Name: 2-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonylmethyl]benzoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylmethyl]benzoic acid Traditional Name: 2-[[4-(4-chlorophenyl)piperazino]sulfonylmethyl]benzoic acid Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H19ClN2O4S/c19-15-5-7-16(8-6-15)20-9-11-21(12-10-20)26(24,25)13-14-3-1-2-4-17(14)18(22)23/h1-8H,9-13H2,(H,22,23)