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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(2-ethoxyphenyl)-2-fluoranyl-benzamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(2-ethoxyphenyl)-2-fluoro-benzamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-(2-ethoxyphenyl)-2-fluorobenzamide Traditional Name: 2-fluoro-N-o-phenetyl-5-(4-piperonylpiperazino)sulfonyl-benzamide Formula: C27H28FN3O6S MolecularWeight: 541.591123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)F

InChI

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