N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-5-nitro-furan-2-carboxamide Openeye Name: 5-nitro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]furan-2-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-5-nitrofuran-2-carboxamide Traditional Name: 5-nitro-N-[2-(2-thienyl)-2-tosyl-ethyl]-2-furamide Formula: C18H16N2O6S2 MolecularWeight: 420.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H16N2O6S2/c1-12-4-6-13(7-5-12)28(24,25)16(15-3-2-10-27-15)11-19-18(21)14-8-9-17(26-14)20(22)23/h2-10,16H,11H2,1H3,(H,19,21)