(4-cyanophenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (4-cyanophenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (4-cyanophenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (4-cyanobenzyl) ester Formula: C25H22FN3O4S MolecularWeight: 479.523283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22FN3O4S/c26-22-8-10-23(11-9-22)28-12-14-29(15-13-28)34(31,32)24-3-1-2-21(16-24)25(30)33-18-20-6-4-19(17-27)5-7-20/h1-11,16H,12-15,18H2