N-[3,5-bis(chloranyl)-2,6-dimethyl-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3,5-bis(chloranyl)-2,6-dimethyl-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-(3,5-dichloro-4-hydroxy-2,6-dimethyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-(3,5-dichloro-4-hydroxy-2,6-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3,5-dichloro-4-hydroxy-2,6-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(3,5-dichloro-4-hydroxy-2,6-dimethyl-phenyl)-3-nitro-benzenesulfonamide Formula: C14H12Cl2N2O5S MolecularWeight: 391.22648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12Cl2N2O5S/c1-7-11(15)14(19)12(16)8(2)13(7)17-24(22,23)10-5-3-4-9(6-10)18(20)21/h3-6,17,19H,1-2H3