4-fluoranyl-3-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-fluoro-3-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 4-fluoro-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 4-fluoro-3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-fluoro-3-(4-phenylpiperazino)sulfonyl-benzoic acid Formula: C17H17FN2O4S MolecularWeight: 364.391283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O4S/c18-15-7-6-13(17(21)22)12-16(15)25(23,24)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,22)