N,N-diethyl-4-[[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-(p-tolylmethylamino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-[(4-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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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)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-4-27(5-2)33(31,32)19-12-10-18(11-13-19)26-22-20(28(29)30)21(24-15-25-22)23-14-17-8-6-16(3)7-9-17/h6-13,15H,4-5,14H2,1-3H3,(H2,23,24,25,26)