3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(2-chlorophenyl)-4-fluoranyl-benzamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(2-chlorophenyl)-4-fluoranyl-benzamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(2-chlorophenyl)-4-fluoro-benzamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-N-(2-chlorophenyl)-4-fluorobenzamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(2-chlorophenyl)-4-fluorobenzamide Traditional Name: N-(2-chlorophenyl)-4-fluoro-3-(4-piperonylpiperazino)sulfonyl-benzamide Formula: C25H23ClFN3O5S MolecularWeight: 531.983623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5Cl)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5Cl)F

InChI

InChI=1S/C25H23ClFN3O5S/c26-19-3-1-2-4-21(19)28-25(31)18-6-7-20(27)24(14-18)36(32,33)30-11-9-29(10-12-30)15-17-5-8-22-23(13-17)35-16-34-22/h1-8,13-14H,9-12,15-16H2,(H,28,31)