N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-(4-nitrophenyl)ethanamide Openeye Name: 2-(4-nitrophenyl)-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]acetamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-nitrophenyl)acetamide Traditional Name: 2-(4-nitrophenyl)-N-[2-(2-thienyl)-2-tosyl-ethyl]acetamide 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)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S2/c1-15-4-10-18(11-5-15)30(27,28)20(19-3-2-12-29-19)14-22-21(24)13-16-6-8-17(9-7-16)23(25)26/h2-12,20H,13-14H2,1H3,(H,22,24)