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

Systemtic Name: 4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C20H20ClN5O4S2 MolecularWeight: 493.9869

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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)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O4S2/c1-3-25(4-2)32(29,30)17-11-7-15(8-12-17)24-19-18(26(27)28)20(23-13-22-19)31-16-9-5-14(21)6-10-16/h5-13H,3-4H2,1-2H3,(H,22,23,24)