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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluoranyl-benzamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluoro-benzamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-N-(4-ethylphenyl)-4-fluorobenzamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluorobenzamide Traditional Name: N-(4-ethylphenyl)-4-fluoro-3-(4-piperonylpiperazino)sulfonyl-benzamide Formula: C27H28FN3O5S MolecularWeight: 525.591723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28FN3O5S/c1-2-19-3-7-22(8-4-19)29-27(32)21-6-9-23(28)26(16-21)37(33,34)31-13-11-30(12-14-31)17-20-5-10-24-25(15-20)36-18-35-24/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,29,32)