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

Systemtic Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(4-chlorophenyl)piperazino]sulfonylbenzoic acid Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O4S/c18-14-4-6-15(7-5-14)19-8-10-20(11-9-19)25(23,24)16-3-1-2-13(12-16)17(21)22/h1-7,12H,8-11H2,(H,21,22)