4-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-[cyano-(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-[cyano-(4-fluorophenyl)methyl]piperazino]sulfonylbenzoic acid Formula: C19H18FN3O4S MolecularWeight: 403.427323

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O4S/c20-16-5-1-14(2-6-16)18(13-21)22-9-11-23(12-10-22)28(26,27)17-7-3-15(4-8-17)19(24)25/h1-8,18H,9-12H2,(H,24,25)