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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1NC(=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=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)OC)O)C

InChI

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