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

Systemtic Name: N-[3-(4-chlorophenyl)sulfonyl-2,6-dimethyl-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-chlorophenyl)sulfonyl-4-hydroxy-2,6-dimethyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(4-chlorophenyl)sulfonyl-4-hydroxy-2,6-dimethylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-chlorophenyl)sulfonyl-4-hydroxy-2,6-dimethylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-chlorophenyl)sulfonyl-4-hydroxy-2,6-dimethyl-phenyl]-3-nitro-benzenesulfonamide Formula: C20H17ClN2O7S2 MolecularWeight: 496.94118

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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=C(C=C3)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O7S2/c1-12-10-18(24)20(31(27,28)16-8-6-14(21)7-9-16)13(2)19(12)22-32(29,30)17-5-3-4-15(11-17)23(25)26/h3-11,22,24H,1-2H3