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

Systemtic Name: N-[2,5-dimethyl-4-oxidanyl-3-(phenylsulfonyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-(3-besyl-4-hydroxy-2,5-dimethyl-phenyl)-3-nitro-benzenesulfonamide Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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