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

Systemtic Name: N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(4-methoxyphenoxy)ethyl-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C21H29N4O6S+ MolecularWeight: 465.54316

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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=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O6S/c1-22-10-12-24(13-11-22)32(28,29)19-8-9-20(21(16-19)25(26)27)23(2)14-15-31-18-6-4-17(30-3)5-7-18/h4-9,16H,10-15H2,1-3H3/p+1