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

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-fluoranyl-phenyl]-3-chloranyl-benzamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-fluoro-phenyl]-3-chloro-benzamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-fluorophenyl]-3-chlorobenzamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-fluorophenyl]-3-chlorobenzamide Traditional Name: 3-chloro-N-[2-fluoro-4-(4-piperonylpiperazino)sulfonyl-phenyl]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=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl)F

InChI

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