4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid Formula: C17H16ClFN2O4S MolecularWeight: 398.836343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN2O4S/c18-15-6-1-12(17(22)23)11-16(15)26(24,25)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2,(H,22,23)