1,3-benzodioxol-5-yl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 1,3-benzodioxol-5-yl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid 1,3-benzodioxol-5-yl ester Formula: C24H21FN2O6S MolecularWeight: 484.496743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21FN2O6S/c25-18-4-6-19(7-5-18)26-10-12-27(13-11-26)34(29,30)21-3-1-2-17(14-21)24(28)33-20-8-9-22-23(15-20)32-16-31-22/h1-9,14-15H,10-13,16H2