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

Systemtic Name: N,N-diethyl-4-[(5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[(5-nitro-6-propan-2-yloxy-4-pyrimidinyl)amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(5-nitro-6-propan-2-yloxypyrimidin-4-yl)amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide Formula: C17H23N5O5S MolecularWeight: 409.46002

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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)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O5S/c1-5-21(6-2)28(25,26)14-9-7-13(8-10-14)20-16-15(22(23)24)17(19-11-18-16)27-12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,20)