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

Systemtic Name: N,N-diethyl-4-[[6-[(2-fluorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(2-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H21FN6O4S MolecularWeight: 460.481943

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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)NC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN6O4S/c1-3-26(4-2)32(30,31)15-11-9-14(10-12-15)24-19-18(27(28)29)20(23-13-22-19)25-17-8-6-5-7-16(17)21/h5-13H,3-4H2,1-2H3,(H2,22,23,24,25)