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

Systemtic Name: N-[3-(4-methoxyphenyl)sulfonyl-2,5-dimethyl-4-oxidanyl-phenyl]-3-nitro-benzamide Openeye Name: N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5-dimethyl-phenyl]-3-nitro-benzamide CAS Name: N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5-dimethylphenyl]-3-nitrobenzamide IUPAC Name: N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5-dimethylphenyl]-3-nitrobenzamide Traditional Name: N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5-dimethyl-phenyl]-3-nitro-benzamide Formula: C22H20N2O7S MolecularWeight: 456.4684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7S/c1-13-11-19(23-22(26)15-5-4-6-16(12-15)24(27)28)14(2)21(20(13)25)32(29,30)18-9-7-17(31-3)8-10-18/h4-12,25H,1-3H3,(H,23,26)