N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-hydroxy-3-nitro-benzenesulfonamide Formula: C14H13ClN2O6S MolecularWeight: 372.78082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O6S/c1-8-5-11(14(23-2)7-10(8)15)16-24(21,22)9-3-4-13(18)12(6-9)17(19)20/h3-7,16,18H,1-2H3