N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: (4-ethoxy-3-methoxy-benzyl)-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C22H31N4O6S+ MolecularWeight: 479.56974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])OC

InChI

InChI=1S/C22H30N4O6S/c1-5-32-21-9-6-17(14-22(21)31-4)16-24(3)19-8-7-18(15-20(19)26(27)28)33(29,30)25-12-10-23(2)11-13-25/h6-9,14-15H,5,10-13,16H2,1-4H3/p+1