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

Systemtic Name: N-[2,6-dimethyl-4-oxidanyl-3-(phenylsulfonyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,6-dimethyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,6-dimethylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,6-dimethylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-(3-besyl-4-hydroxy-2,6-dimethyl-phenyl)-3-nitro-benzenesulfonamide Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C(=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H18N2O7S2/c1-13-11-18(23)20(30(26,27)16-8-4-3-5-9-16)14(2)19(13)21-31(28,29)17-10-6-7-15(12-17)22(24)25/h3-12,21,23H,1-2H3