N-(3-bromanyl-5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-bromanyl-5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(3-bromo-4-hydroxy-2-isopropyl-5-methyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-(3-bromo-4-hydroxy-5-methyl-2-propan-2-ylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3-bromo-4-hydroxy-5-methyl-2-propan-2-ylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-bromo-4-hydroxy-2-isopropyl-5-methyl-phenyl)-3-nitro-benzenesulfonamide Formula: C16H17BrN2O5S MolecularWeight: 429.28558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)Br)C(C)C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1O)Br)C(C)C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17BrN2O5S/c1-9(2)14-13(7-10(3)16(20)15(14)17)18-25(23,24)12-6-4-5-11(8-12)19(21)22/h4-9,18,20H,1-3H3