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

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide Formula: C19H23FN3O4S+ MolecularWeight: 408.467023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H22FN3O4S/c1-27-17-6-3-5-16(13-17)21-19(24)14-22-8-10-23(11-9-22)28(25,26)18-7-2-4-15(20)12-18/h2-7,12-13H,8-11,14H2,1H3,(H,21,24)/p+1