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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-bromanyl-2-fluoranyl-phenyl)-2-fluoranyl-benzamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-bromo-2-fluoro-phenyl)-2-fluoro-benzamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-fluoro-5-(4-piperonylpiperazino)sulfonyl-benzamide Formula: C25H22BrF2N3O5S MolecularWeight: 594.425086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)F)C(=O)NC5=C(C=C(C=C5)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)F)C(=O)NC5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C25H22BrF2N3O5S/c26-17-2-5-22(21(28)12-17)29-25(32)19-13-18(3-4-20(19)27)37(33,34)31-9-7-30(8-10-31)14-16-1-6-23-24(11-16)36-15-35-23/h1-6,11-13H,7-10,14-15H2,(H,29,32)