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

Systemtic Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Openeye Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide CAS Name: N-butyl-N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]benzenesulfonamide IUPAC Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Traditional Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4S/c1-2-3-14-25(32(30,31)19-10-5-4-6-11-19)18-9-7-8-17(15-18)20-12-13-23-22-21(27(28)29)16-24-26(20)22/h4-13,15-16H,2-3,14H2,1H3