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

Systemtic Name: N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Openeye Name: N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide CAS Name: N-ethyl-N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]benzenesulfonamide IUPAC Name: N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Traditional Name: N-ethyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Formula: C20H17N5O4S MolecularWeight: 423.44508

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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)C4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O4S/c1-2-23(30(28,29)17-9-4-3-5-10-17)16-8-6-7-15(13-16)18-11-12-21-20-19(25(26)27)14-22-24(18)20/h3-14H,2H2,1H3