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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonyl-N-piperonyl-benzamide Formula: C25H24FN3O5S MolecularWeight: 497.538563

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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24FN3O5S/c26-20-5-7-21(8-6-20)28-10-12-29(13-11-28)35(31,32)22-3-1-2-19(15-22)25(30)27-16-18-4-9-23-24(14-18)34-17-33-23/h1-9,14-15H,10-13,16-17H2,(H,27,30)