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

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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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)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5S/c1-5-27(6-2)34(31,32)20-13-9-18(10-14-20)26-22-21(28(29)30)23(25-15-24-22)33-19-11-7-17(8-12-19)16(3)4/h7-16H,5-6H2,1-4H3,(H,24,25,26)