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

Systemtic Name: N,N-diethyl-4-[[6-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-[(4-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-[(4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H23FN6O4S MolecularWeight: 474.508523

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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)F)[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)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN6O4S/c1-3-27(4-2)33(31,32)18-11-9-17(10-12-18)26-21-19(28(29)30)20(24-14-25-21)23-13-15-5-7-16(22)8-6-15/h5-12,14H,3-4,13H2,1-2H3,(H2,23,24,25,26)