4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-2-nitro-benzenesulfonamide Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S2/c1-20-10-9-18-17(20)27-14-6-3-12(4-7-14)19-28(24,25)16-8-5-13(26-2)11-15(16)21(22)23/h3-11,19H,1-2H3