N-[4-(4-nitrophenyl)sulfonylphenyl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-(4-nosylphenyl)propionamide Formula: C21H16N4O6S2 MolecularWeight: 484.50494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=CS3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=CS3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S2/c26-19(9-11-24-13-22-20-18(21(24)27)10-12-32-20)23-14-1-5-16(6-2-14)33(30,31)17-7-3-15(4-8-17)25(28)29/h1-8,10,12-13H,9,11H2,(H,23,26)