N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-3-nitro-benzenesulfonamide Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S2/c1-19-9-8-17-16(19)26-12-4-2-11(3-5-12)18-27(24,25)13-6-7-15(21)14(10-13)20(22)23/h2-10,18,21H,1H3