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

Systemtic Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propane-2-sulfonamide Openeye Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propane-2-sulfonamide CAS Name: N-butyl-N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-2-propanesulfonamide IUPAC Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propane-2-sulfonamide Traditional Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propane-2-sulfonamide Formula: C19H23N5O4S MolecularWeight: 417.48202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4S/c1-4-5-11-22(29(27,28)14(2)3)16-8-6-7-15(12-16)17-9-10-20-19-18(24(25)26)13-21-23(17)19/h6-10,12-14H,4-5,11H2,1-3H3