N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(6-imidazol-1-yl-3-pyridyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[[6-(1-imidazolyl)-3-pyridinyl]methyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: (6-imidazol-1-yl-3-pyridyl)methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H24N7O4S+ MolecularWeight: 458.51406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N7O4S/c1-24-8-10-26(11-9-24)32(30,31)17-3-4-18(19(12-17)27(28)29)22-13-16-2-5-20(23-14-16)25-7-6-21-15-25/h2-7,12,14-15,22H,8-11,13H2,1H3/p+1