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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluoranyl-benzamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluoro-benzamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluorobenzamide Traditional Name: 4-fluoro-3-(4-piperonylpiperazino)sulfonyl-N-p-phenetyl-benzamide Formula: C27H28FN3O6S MolecularWeight: 541.591123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C27H28FN3O6S/c1-2-35-22-7-5-21(6-8-22)29-27(32)20-4-9-23(28)26(16-20)38(33,34)31-13-11-30(12-14-31)17-19-3-10-24-25(15-19)37-18-36-24/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,29,32)