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

Systemtic Name: 4-chloranyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-2-nitro-benzenesulfonamide Formula: C16H13ClN4O4S2 MolecularWeight: 424.88182

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O4S2/c1-20-9-8-18-16(20)26-13-5-3-12(4-6-13)19-27(24,25)15-7-2-11(17)10-14(15)21(22)23/h2-10,19H,1H3