4-chloranyl-3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[[4-[cyano-(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[4-[cyano-(4-fluorophenyl)methyl]piperazino]sulfonyl-benzoic acid Formula: C19H17ClFN3O4S MolecularWeight: 437.872383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClFN3O4S/c20-16-6-3-14(19(25)26)11-18(16)29(27,28)24-9-7-23(8-10-24)17(12-22)13-1-4-15(21)5-2-13/h1-6,11,17H,7-10H2,(H,25,26)