N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide

Systemtic Name: N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide Openeye Name: N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide CAS Name: N-ethyl-N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]ethanesulfonamide IUPAC Name: N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide Traditional Name: N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)CC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)CC

InChI

InChI=1S/C16H17N5O4S/c1-3-19(26(24,25)4-2)13-7-5-6-12(10-13)14-8-9-17-16-15(21(22)23)11-18-20(14)16/h5-11H,3-4H2,1-2H3