N-[3-methyl-5-(4-methylphenyl)sulfonyl-4-oxidanyl-phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-methyl-5-(4-methylphenyl)sulfonyl-4-oxidanyl-phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-hydroxy-3-methyl-5-(p-tolylsulfonyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-3-methyl-5-(4-methylphenyl)sulfonylphenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-hydroxy-3-methyl-5-(4-methylphenyl)sulfonylphenyl]-2-nitrobenzenesulfonamide Traditional Name: N-(4-hydroxy-3-methyl-5-tosyl-phenyl)-2-nitro-benzenesulfonamide Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C)O

InChI

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