2-bromanyl-5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[[4-[cyano-(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[4-[cyano-(4-fluorophenyl)methyl]piperazino]sulfonyl-benzoic acid Formula: C19H17BrFN3O4S MolecularWeight: 482.323383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H17BrFN3O4S/c20-17-6-5-15(11-16(17)19(25)26)29(27,28)24-9-7-23(8-10-24)18(12-22)13-1-3-14(21)4-2-13/h1-6,11,18H,7-10H2,(H,25,26)