N,N-diethyl-3-nitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(4,5,6-trimethyl-2-pyrimidinyl)thio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(4,5,6-trimethylpyrimidin-2-yl)thio]benzenesulfonamide Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC(=C(C(=N2)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC(=C(C(=N2)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c1-6-20(7-2)27(24,25)14-8-9-16(15(10-14)21(22)23)26-17-18-12(4)11(3)13(5)19-17/h8-10H,6-7H2,1-5H3