3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-[cyano-(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[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=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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