N-(4-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(4-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(4-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(4-fluorophenyl)-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(4-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: (4-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]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=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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