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

Systemtic Name: (phenylmethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: benzyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid benzyl ester Formula: C24H23FN2O4S MolecularWeight: 454.513823

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN2O4S/c25-21-9-11-22(12-10-21)26-13-15-27(16-14-26)32(29,30)23-8-4-7-20(17-23)24(28)31-18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2