2-(2-fluorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethanamide

Systemtic Name: 2-(2-fluorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethanamide Openeye Name: 2-(2-fluorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]acetamide CAS Name: 2-(2-fluorophenyl)-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(2-fluorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(2-fluorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]acetamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CC3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CC3=CC=CC=C3F

InChI

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