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

Systemtic Name: N-[5-(4-methoxyphenyl)sulfonyl-2,3-dimethyl-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2,3-dimethyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2,3-dimethylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2,3-dimethylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2,3-dimethyl-phenyl]-3-nitro-benzenesulfonamide Formula: C21H20N2O8S2 MolecularWeight: 492.5221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O8S2/c1-13-14(2)21(24)20(32(27,28)17-9-7-16(31-3)8-10-17)12-19(13)22-33(29,30)18-6-4-5-15(11-18)23(25)26/h4-12,22,24H,1-3H3