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

Systemtic Name: 4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-benzenesulfonamide Openeye Name: 4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-benzenesulfonamide CAS Name: 4-methoxy-N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-propylbenzenesulfonamide IUPAC Name: 4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propylbenzenesulfonamide Traditional Name: 4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-benzenesulfonamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O5S/c1-3-13-25(33(30,31)19-9-7-18(32-2)8-10-19)17-6-4-5-16(14-17)20-11-12-23-22-21(27(28)29)15-24-26(20)22/h4-12,14-15H,3,13H2,1-2H3