N,N-diethyl-4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(4-methyl-2-pyrimidinyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(4-methylpyrimidin-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4S2/c1-4-18(5-2)25(22,23)12-6-7-14(13(10-12)19(20)21)24-15-16-9-8-11(3)17-15/h6-10H,4-5H2,1-3H3