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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(3-methoxyphenyl)methyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: m-anisyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C19H25N4O5S+ MolecularWeight: 421.4906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-21-8-10-22(11-9-21)29(26,27)17-6-7-18(19(13-17)23(24)25)20-14-15-4-3-5-16(12-15)28-2/h3-7,12-13,20H,8-11,14H2,1-2H3/p+1