3-nitro-N-[4-oxidanyl-3-(phenylsulfonyl)-5-propan-2-yl-phenyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-oxidanyl-3-(phenylsulfonyl)-5-propan-2-yl-phenyl]benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-5-isopropyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-5-propan-2-ylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-5-propan-2-ylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-(3-besyl-4-hydroxy-5-isopropyl-phenyl)-3-nitro-benzenesulfonamide Formula: C21H20N2O7S2 MolecularWeight: 476.5227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)S(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)S(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7S2/c1-14(2)19-11-15(22-32(29,30)18-10-6-7-16(13-18)23(25)26)12-20(21(19)24)31(27,28)17-8-4-3-5-9-17/h3-14,22,24H,1-2H3