4,5-dimethoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 4,5-dimethoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C22H22N2O7S2 MolecularWeight: 490.54928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CS3

InChI

InChI=1S/C22H22N2O7S2/c1-14-6-8-15(9-7-14)33(28,29)21(20-5-4-10-32-20)13-23-22(25)16-11-18(30-2)19(31-3)12-17(16)24(26)27/h4-12,21H,13H2,1-3H3,(H,23,25)