N,N-diethyl-4-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C21H23N7O5S MolecularWeight: 485.51622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O5S/c1-3-27(4-2)34(32,33)17-12-10-16(11-13-17)24-19-18(28(30)31)20(23-14-22-19)25-26-21(29)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,26,29)(H2,22,23,24,25)