3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-nitro-benzamide Openeye Name: 3-methyl-4-nitro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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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-])C)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S2/c1-14-5-8-17(9-6-14)30(27,28)20(19-4-3-11-29-19)13-22-21(24)16-7-10-18(23(25)26)15(2)12-16/h3-12,20H,13H2,1-2H3,(H,22,24)