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

Systemtic Name: 4-chloranyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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