N-[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-fluoro-benzamide CAS Name: N-[2-ethoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-fluorobenzamide Traditional Name: N-[2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-fluoro-benzamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3O4S/c1-3-28-19-9-8-15(29(26,27)24-12-10-23(2)11-13-24)14-18(19)22-20(25)16-6-4-5-7-17(16)21/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)/p+1