(5-cyano-2-fluoranyl-phenyl)methyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C26H24FN3O4S MolecularWeight: 493.549863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(C=CC(=C4)C#N)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(C=CC(=C4)C#N)F

InChI

InChI=1S/C26H24FN3O4S/c27-25-10-9-21(17-28)15-23(25)19-34-26(31)22-7-4-8-24(16-22)35(32,33)30-13-11-29(12-14-30)18-20-5-2-1-3-6-20/h1-10,15-16H,11-14,18-19H2