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

Systemtic Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-hydroxy-benzoic acid CAS Name: 5-[[4-[cyano-(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-hydroxybenzoic acid Traditional Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazino]sulfonyl-2-hydroxy-benzoic acid Formula: C19H18FN3O5S MolecularWeight: 419.426723

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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)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O5S/c20-14-3-1-13(2-4-14)17(12-21)22-7-9-23(10-8-22)29(27,28)15-5-6-18(24)16(11-15)19(25)26/h1-6,11,17,24H,7-10H2,(H,25,26)