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

Systemtic Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]methanesulfonamide Openeye Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]methanesulfonamide CAS Name: N-butyl-N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]methanesulfonamide IUPAC Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]methanesulfonamide Traditional Name: N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]methanesulfonamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-3-4-10-20(27(2,25)26)14-7-5-6-13(11-14)15-8-9-18-17-16(22(23)24)12-19-21(15)17/h5-9,11-12H,3-4,10H2,1-2H3