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

Systemtic Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-benzenesulfonamide Openeye Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-benzenesulfonamide CAS Name: N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-propylbenzenesulfonamide IUPAC Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propylbenzenesulfonamide Traditional Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-benzenesulfonamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4S/c1-2-13-24(31(29,30)18-9-4-3-5-10-18)17-8-6-7-16(14-17)19-11-12-22-21-20(26(27)28)15-23-25(19)21/h3-12,14-15H,2,13H2,1H3