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

Systemtic Name: 4-[(6-cyclohexyloxy-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(6-cyclohexyloxy-5-nitro-4-pyrimidinyl)amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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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)OC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5S/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/h10-14,16H,3-9H2,1-2H3,(H,21,22,23)