N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-prop-2-ynyl-methanesulfonamide

Systemtic Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-prop-2-ynyl-methanesulfonamide Openeye Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-prop-2-ynyl-methanesulfonamide CAS Name: N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-prop-2-ynylmethanesulfonamide IUPAC Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-prop-2-ynylmethanesulfonamide Traditional Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propargyl-methanesulfonamide Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC#C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC#C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S/c1-3-9-19(26(2,24)25)13-6-4-5-12(10-13)14-7-8-17-16-15(21(22)23)11-18-20(14)16/h1,4-8,10-11H,9H2,2H3