2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: N-(3-fluorophenyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O4S/c1-2-28-18-6-8-19(9-7-18)29(26,27)24-12-10-23(11-13-24)15-20(25)22-17-5-3-4-16(21)14-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)/p+1