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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(3-methoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(3-methoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(3-methoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: m-anisyl-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H27N4O5S+ MolecularWeight: 435.51718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-21-9-11-23(12-10-21)30(27,28)18-7-8-19(20(14-18)24(25)26)22(2)15-16-5-4-6-17(13-16)29-3/h4-8,13-14H,9-12,15H2,1-3H3/p+1