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

Systemtic Name: 4-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-3-nitro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 4-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-methyl-3-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)C)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

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

InChI

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