4-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-nitro-aniline

Systemtic Name: 4-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-nitro-aniline Openeye Name: 4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-nitro-aniline CAS Name: 4-fluoro-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-nitroaniline IUPAC Name: 4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-nitroaniline Traditional Name: (4-fluoro-2-nitro-phenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amine Formula: C17H20FN4O4S+ MolecularWeight: 395.428503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19FN4O4S/c1-20-8-10-21(11-9-20)27(25,26)15-5-3-14(4-6-15)19-16-7-2-13(18)12-17(16)22(23)24/h2-7,12,19H,8-11H2,1H3/p+1