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

Systemtic Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide Openeye Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide CAS Name: N-butyl-N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]ethanesulfonamide IUPAC Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide Traditional Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c1-3-5-11-21(28(26,27)4-2)15-8-6-7-14(12-15)16-9-10-19-18-17(23(24)25)13-20-22(16)18/h6-10,12-13H,3-5,11H2,1-2H3