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

Systemtic Name: N,N-diethyl-4-[(5-nitro-6-phenoxy-pyrimidin-4-yl)amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(5-nitro-6-phenoxy-pyrimidin-4-yl)amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[(5-nitro-6-phenoxy-4-pyrimidinyl)amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(5-nitro-6-phenoxypyrimidin-4-yl)amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(5-nitro-6-phenoxy-pyrimidin-4-yl)amino]benzenesulfonamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5S/c1-3-24(4-2)31(28,29)17-12-10-15(11-13-17)23-19-18(25(26)27)20(22-14-21-19)30-16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H,21,22,23)