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

Systemtic Name: N-[2-(2-fluorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(2-fluorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(2-fluorophenyl)ethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(2-fluorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(2-fluorophenyl)ethyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C19H24FN4O4S+ MolecularWeight: 423.481663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C19H23FN4O4S/c1-22-10-12-23(13-11-22)29(27,28)16-6-7-18(19(14-16)24(25)26)21-9-8-15-4-2-3-5-17(15)20/h2-7,14,21H,8-13H2,1H3/p+1