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

Systemtic Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-prop-2-ynyl-propane-2-sulfonamide Openeye Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-prop-2-ynyl-propane-2-sulfonamide CAS Name: N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-prop-2-ynyl-2-propanesulfonamide IUPAC Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-prop-2-ynylpropane-2-sulfonamide Traditional Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propargyl-propane-2-sulfonamide Formula: C18H17N5O4S MolecularWeight: 399.42368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-4-10-21(28(26,27)13(2)3)15-7-5-6-14(11-15)16-8-9-19-18-17(23(24)25)12-20-22(16)18/h1,5-9,11-13H,10H2,2-3H3