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

Systemtic Name: 3-fluoranyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-4-methyl-benzamide Openeye Name: 3-fluoro-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-4-methyl-benzamide CAS Name: 3-fluoro-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-methylbenzamide IUPAC Name: 3-fluoro-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-methylbenzamide Traditional Name: 3-fluoro-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-4-methyl-benzamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OC)F

InChI

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