N-[2-(3-chloranylphenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3-chloranylphenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(3-chlorophenoxy)ethyl-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H26ClN4O5S+ MolecularWeight: 469.96224

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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=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCOC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN4O5S/c1-22-8-10-24(11-9-22)31(28,29)18-6-7-19(20(15-18)25(26)27)23(2)12-13-30-17-5-3-4-16(21)14-17/h3-7,14-15H,8-13H2,1-2H3/p+1