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

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [6-(4-methylpiperazino)-3-pyridyl]methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C22H31N7O4S MolecularWeight: 489.59104

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H31N7O4S/c1-25-7-11-27(12-8-25)22-6-3-18(17-24-22)16-23-20-5-4-19(15-21(20)29(30)31)34(32,33)28-13-9-26(2)10-14-28/h3-6,15,17,23H,7-14,16H2,1-2H3