2-chloranyl-4-fluoranyl-5-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-5-(4-cinnamylpiperazin-1-yl)sulfonyl-4-fluoro-benzoic acid CAS Name: 2-chloro-4-fluoro-5-[[4-(3-phenylprop-2-enyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-5-(4-cinnamylpiperazino)sulfonyl-4-fluoro-benzoic acid Formula: C20H20ClFN2O4S MolecularWeight: 438.900203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C20H20ClFN2O4S/c21-17-14-18(22)19(13-16(17)20(25)26)29(27,28)24-11-9-23(10-12-24)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2,(H,25,26)