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

Systemtic Name: N-[2-(2-fluoranylphenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(2-fluorophenoxy)ethyl-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H26FN4O5S+ MolecularWeight: 453.507643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCOC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCOC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H25FN4O5S/c1-22-9-11-24(12-10-22)31(28,29)16-7-8-18(19(15-16)25(26)27)23(2)13-14-30-20-6-4-3-5-17(20)21/h3-8,15H,9-14H2,1-2H3/p+1